data_17098 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17098 _Entry.Title ; Cofactor fingerprinting with STD NMR to characterize proteins of unknown function: identification of a rare cCMP cofactor preference ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-08-02 _Entry.Accession_date 2010-08-02 _Entry.Last_release_date 2010-11-10 _Entry.Original_release_date 2010-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Huili Yao . . . 17098 2 Daniel Sem . S. . 17098 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID chemical_rates 1 17098 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID 'kinetic rates' 1 17098 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-11-10 2010-08-02 original author . 17098 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17098 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15670825 _Citation.Full_citation . _Citation.Title 'Cofactor fingerprinting with STD NMR to characterize proteins of unknown function: identification of a rare cCMP cofactor preference' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS Letters' _Citation.Journal_volume 579 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 661 _Citation.Page_last 666 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Huili Yao . . . 17098 1 2 Daniel Sem . S. . 17098 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17098 _Assembly.ID 1 _Assembly.Name 'RSP2/ATP complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 RSP2 1 $RSP2 A . yes native no no . . . 17098 1 2 ATP 2 $ATP A . no native no no . . . 17098 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RSP2 _Entity.Sf_category entity _Entity.Sf_framecode RSP2 _Entity.Entry_ID 17098 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RSP2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAPTQAGHDTAYLKETVGEA LARGCAAAISAQPNDPVEYL GLWLLKYVKNAEVEGNFYRE RQQDLQKKKDRLVKEAQSEQ AAKSVALTRKEAADALALVT AEPRELLEAAVKLVKQHTAA GAAYAAVVAEPEEPDWVAPE DDEAAAVETEDEAAGGAALA EGEEPPPEPEPEPEAAPEDG EGDAPAPKIPRPVDYSKKYF AYVAASAGQEHVLEADLYRP APPPEDADEDFKPEPLPYSF RVLDEKLPMLYVPNVAAEER VKFFRKFPKIGSYQACGVAL PASGEFKALLAADTLFPEGS GQPLSADDRDFVWEVSQSLS RALEAVQARAAEALAATSAA EAVEELKAKVAELREQAAAE AAAAAPPPPAEGEEGEGEAP PAEEEPPAEEEAEEEEEEAE EGAEEGAEEGEEGEEAPPKP KKKKKVFNPIPGLQAAIEKL TAAAEAATEADARAQAAVAL EKQALDEVVALASSHSDATL SSLRNMLSVPQGTYHVVKAL LHLLGRPAASFSTWKRAHSH FSPRLFEDMAAYDATAERDM AVWGRVRSCYKAAPAAKKLD AEMPNTLFGSVALMYIKQVR RVARKAVLQRELAAKLAKAQ QDLADKQAALVEAERVKAER EAEEARLAAEAEAAAAAEAE AAARAAAEAEAAAAAEAAAE AAAEAAAAAAEAAAEAGEGE AVAEREAAPAEAEAAPAEGE AAPPAEGEGEAQPAQEGSNS SSSSSDSSSSEESKAAAE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ATP _Entity.Nonpolymer_comp_label $chem_comp_ATP _Entity.Number_of_monomers 738 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not reported' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB AAQ92371 . "radial spoke protein 2 [Chlamydomonas reinhardtii]" . . . . . 100.00 738 100.00 100.00 0.00e+00 . . . . 17098 1 2 no GB EDP06497 . "radial spoke protein 2 [Chlamydomonas reinhardtii]" . . . . . 100.00 738 100.00 100.00 0.00e+00 . . . . 17098 1 3 no REF XP_001702718 . "radial spoke protein 2 [Chlamydomonas reinhardtii]" . . . . . 100.00 738 100.00 100.00 0.00e+00 . . . . 17098 1 4 no SP Q6UBQ3 . "RecName: Full=Flagellar radial spoke protein 2" . . . . . 100.00 738 100.00 100.00 0.00e+00 . . . . 17098 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17098 1 2 . ALA . 17098 1 3 . PRO . 17098 1 4 . THR . 17098 1 5 . GLN . 17098 1 6 . ALA . 17098 1 7 . GLY . 17098 1 8 . HIS . 17098 1 9 . ASP . 17098 1 10 . THR . 17098 1 11 . ALA . 17098 1 12 . TYR . 17098 1 13 . LEU . 17098 1 14 . LYS . 17098 1 15 . GLU . 17098 1 16 . THR . 17098 1 17 . VAL . 17098 1 18 . GLY . 17098 1 19 . GLU . 17098 1 20 . ALA . 17098 1 21 . LEU . 17098 1 22 . ALA . 17098 1 23 . ARG . 17098 1 24 . GLY . 17098 1 25 . CYS . 17098 1 26 . ALA . 17098 1 27 . ALA . 17098 1 28 . ALA . 17098 1 29 . ILE . 17098 1 30 . SER . 17098 1 31 . ALA . 17098 1 32 . GLN . 17098 1 33 . PRO . 17098 1 34 . ASN . 17098 1 35 . ASP . 17098 1 36 . PRO . 17098 1 37 . VAL . 17098 1 38 . GLU . 17098 1 39 . TYR . 17098 1 40 . LEU . 17098 1 41 . GLY . 17098 1 42 . LEU . 17098 1 43 . TRP . 17098 1 44 . LEU . 17098 1 45 . LEU . 17098 1 46 . LYS . 17098 1 47 . TYR . 17098 1 48 . VAL . 17098 1 49 . LYS . 17098 1 50 . ASN . 17098 1 51 . ALA . 17098 1 52 . GLU . 17098 1 53 . VAL . 17098 1 54 . GLU . 17098 1 55 . GLY . 17098 1 56 . ASN . 17098 1 57 . PHE . 17098 1 58 . TYR . 17098 1 59 . ARG . 17098 1 60 . GLU . 17098 1 61 . ARG . 17098 1 62 . GLN . 17098 1 63 . GLN . 17098 1 64 . ASP . 17098 1 65 . LEU . 17098 1 66 . GLN . 17098 1 67 . LYS . 17098 1 68 . LYS . 17098 1 69 . LYS . 17098 1 70 . ASP . 17098 1 71 . ARG . 17098 1 72 . LEU . 17098 1 73 . VAL . 17098 1 74 . LYS . 17098 1 75 . GLU . 17098 1 76 . ALA . 17098 1 77 . GLN . 17098 1 78 . SER . 17098 1 79 . GLU . 17098 1 80 . GLN . 17098 1 81 . ALA . 17098 1 82 . ALA . 17098 1 83 . LYS . 17098 1 84 . SER . 17098 1 85 . VAL . 17098 1 86 . ALA . 17098 1 87 . LEU . 17098 1 88 . THR . 17098 1 89 . ARG . 17098 1 90 . LYS . 17098 1 91 . GLU . 17098 1 92 . ALA . 17098 1 93 . ALA . 17098 1 94 . ASP . 17098 1 95 . ALA . 17098 1 96 . LEU . 17098 1 97 . ALA . 17098 1 98 . LEU . 17098 1 99 . VAL . 17098 1 100 . THR . 17098 1 101 . ALA . 17098 1 102 . GLU . 17098 1 103 . PRO . 17098 1 104 . ARG . 17098 1 105 . GLU . 17098 1 106 . LEU . 17098 1 107 . LEU . 17098 1 108 . GLU . 17098 1 109 . ALA . 17098 1 110 . ALA . 17098 1 111 . VAL . 17098 1 112 . LYS . 17098 1 113 . LEU . 17098 1 114 . VAL . 17098 1 115 . LYS . 17098 1 116 . GLN . 17098 1 117 . HIS . 17098 1 118 . THR . 17098 1 119 . ALA . 17098 1 120 . ALA . 17098 1 121 . GLY . 17098 1 122 . ALA . 17098 1 123 . ALA . 17098 1 124 . TYR . 17098 1 125 . ALA . 17098 1 126 . ALA . 17098 1 127 . VAL . 17098 1 128 . VAL . 17098 1 129 . ALA . 17098 1 130 . GLU . 17098 1 131 . PRO . 17098 1 132 . GLU . 17098 1 133 . GLU . 17098 1 134 . PRO . 17098 1 135 . ASP . 17098 1 136 . TRP . 17098 1 137 . VAL . 17098 1 138 . ALA . 17098 1 139 . PRO . 17098 1 140 . GLU . 17098 1 141 . ASP . 17098 1 142 . ASP . 17098 1 143 . GLU . 17098 1 144 . ALA . 17098 1 145 . ALA . 17098 1 146 . ALA . 17098 1 147 . VAL . 17098 1 148 . GLU . 17098 1 149 . THR . 17098 1 150 . GLU . 17098 1 151 . ASP . 17098 1 152 . GLU . 17098 1 153 . ALA . 17098 1 154 . ALA . 17098 1 155 . GLY . 17098 1 156 . GLY . 17098 1 157 . ALA . 17098 1 158 . ALA . 17098 1 159 . LEU . 17098 1 160 . ALA . 17098 1 161 . GLU . 17098 1 162 . GLY . 17098 1 163 . GLU . 17098 1 164 . GLU . 17098 1 165 . PRO . 17098 1 166 . PRO . 17098 1 167 . PRO . 17098 1 168 . GLU . 17098 1 169 . PRO . 17098 1 170 . GLU . 17098 1 171 . PRO . 17098 1 172 . GLU . 17098 1 173 . PRO . 17098 1 174 . GLU . 17098 1 175 . ALA . 17098 1 176 . ALA . 17098 1 177 . PRO . 17098 1 178 . GLU . 17098 1 179 . ASP . 17098 1 180 . GLY . 17098 1 181 . GLU . 17098 1 182 . GLY . 17098 1 183 . ASP . 17098 1 184 . ALA . 17098 1 185 . PRO . 17098 1 186 . ALA . 17098 1 187 . PRO . 17098 1 188 . LYS . 17098 1 189 . ILE . 17098 1 190 . PRO . 17098 1 191 . ARG . 17098 1 192 . PRO . 17098 1 193 . VAL . 17098 1 194 . ASP . 17098 1 195 . TYR . 17098 1 196 . SER . 17098 1 197 . LYS . 17098 1 198 . LYS . 17098 1 199 . TYR . 17098 1 200 . PHE . 17098 1 201 . ALA . 17098 1 202 . TYR . 17098 1 203 . VAL . 17098 1 204 . ALA . 17098 1 205 . ALA . 17098 1 206 . SER . 17098 1 207 . ALA . 17098 1 208 . GLY . 17098 1 209 . GLN . 17098 1 210 . GLU . 17098 1 211 . HIS . 17098 1 212 . VAL . 17098 1 213 . LEU . 17098 1 214 . GLU . 17098 1 215 . ALA . 17098 1 216 . ASP . 17098 1 217 . LEU . 17098 1 218 . TYR . 17098 1 219 . ARG . 17098 1 220 . PRO . 17098 1 221 . ALA . 17098 1 222 . PRO . 17098 1 223 . PRO . 17098 1 224 . PRO . 17098 1 225 . GLU . 17098 1 226 . ASP . 17098 1 227 . ALA . 17098 1 228 . ASP . 17098 1 229 . GLU . 17098 1 230 . ASP . 17098 1 231 . PHE . 17098 1 232 . LYS . 17098 1 233 . PRO . 17098 1 234 . GLU . 17098 1 235 . PRO . 17098 1 236 . LEU . 17098 1 237 . PRO . 17098 1 238 . TYR . 17098 1 239 . SER . 17098 1 240 . PHE . 17098 1 241 . ARG . 17098 1 242 . VAL . 17098 1 243 . LEU . 17098 1 244 . ASP . 17098 1 245 . GLU . 17098 1 246 . LYS . 17098 1 247 . LEU . 17098 1 248 . PRO . 17098 1 249 . MET . 17098 1 250 . LEU . 17098 1 251 . TYR . 17098 1 252 . VAL . 17098 1 253 . PRO . 17098 1 254 . ASN . 17098 1 255 . VAL . 17098 1 256 . ALA . 17098 1 257 . ALA . 17098 1 258 . GLU . 17098 1 259 . GLU . 17098 1 260 . ARG . 17098 1 261 . VAL . 17098 1 262 . LYS . 17098 1 263 . PHE . 17098 1 264 . PHE . 17098 1 265 . ARG . 17098 1 266 . LYS . 17098 1 267 . PHE . 17098 1 268 . PRO . 17098 1 269 . LYS . 17098 1 270 . ILE . 17098 1 271 . GLY . 17098 1 272 . SER . 17098 1 273 . TYR . 17098 1 274 . GLN . 17098 1 275 . ALA . 17098 1 276 . CYS . 17098 1 277 . GLY . 17098 1 278 . VAL . 17098 1 279 . ALA . 17098 1 280 . LEU . 17098 1 281 . PRO . 17098 1 282 . ALA . 17098 1 283 . SER . 17098 1 284 . GLY . 17098 1 285 . GLU . 17098 1 286 . PHE . 17098 1 287 . LYS . 17098 1 288 . ALA . 17098 1 289 . LEU . 17098 1 290 . LEU . 17098 1 291 . ALA . 17098 1 292 . ALA . 17098 1 293 . ASP . 17098 1 294 . THR . 17098 1 295 . LEU . 17098 1 296 . PHE . 17098 1 297 . PRO . 17098 1 298 . GLU . 17098 1 299 . GLY . 17098 1 300 . SER . 17098 1 301 . GLY . 17098 1 302 . GLN . 17098 1 303 . PRO . 17098 1 304 . LEU . 17098 1 305 . SER . 17098 1 306 . ALA . 17098 1 307 . ASP . 17098 1 308 . ASP . 17098 1 309 . ARG . 17098 1 310 . ASP . 17098 1 311 . PHE . 17098 1 312 . VAL . 17098 1 313 . TRP . 17098 1 314 . GLU . 17098 1 315 . VAL . 17098 1 316 . SER . 17098 1 317 . GLN . 17098 1 318 . SER . 17098 1 319 . LEU . 17098 1 320 . SER . 17098 1 321 . ARG . 17098 1 322 . ALA . 17098 1 323 . LEU . 17098 1 324 . GLU . 17098 1 325 . ALA . 17098 1 326 . VAL . 17098 1 327 . GLN . 17098 1 328 . ALA . 17098 1 329 . ARG . 17098 1 330 . ALA . 17098 1 331 . ALA . 17098 1 332 . GLU . 17098 1 333 . ALA . 17098 1 334 . LEU . 17098 1 335 . ALA . 17098 1 336 . ALA . 17098 1 337 . THR . 17098 1 338 . SER . 17098 1 339 . ALA . 17098 1 340 . ALA . 17098 1 341 . GLU . 17098 1 342 . ALA . 17098 1 343 . VAL . 17098 1 344 . GLU . 17098 1 345 . GLU . 17098 1 346 . LEU . 17098 1 347 . LYS . 17098 1 348 . ALA . 17098 1 349 . LYS . 17098 1 350 . VAL . 17098 1 351 . ALA . 17098 1 352 . GLU . 17098 1 353 . LEU . 17098 1 354 . ARG . 17098 1 355 . GLU . 17098 1 356 . GLN . 17098 1 357 . ALA . 17098 1 358 . ALA . 17098 1 359 . ALA . 17098 1 360 . GLU . 17098 1 361 . ALA . 17098 1 362 . ALA . 17098 1 363 . ALA . 17098 1 364 . ALA . 17098 1 365 . ALA . 17098 1 366 . PRO . 17098 1 367 . PRO . 17098 1 368 . PRO . 17098 1 369 . PRO . 17098 1 370 . ALA . 17098 1 371 . GLU . 17098 1 372 . GLY . 17098 1 373 . GLU . 17098 1 374 . GLU . 17098 1 375 . GLY . 17098 1 376 . GLU . 17098 1 377 . GLY . 17098 1 378 . GLU . 17098 1 379 . ALA . 17098 1 380 . PRO . 17098 1 381 . PRO . 17098 1 382 . ALA . 17098 1 383 . GLU . 17098 1 384 . GLU . 17098 1 385 . GLU . 17098 1 386 . PRO . 17098 1 387 . PRO . 17098 1 388 . ALA . 17098 1 389 . GLU . 17098 1 390 . GLU . 17098 1 391 . GLU . 17098 1 392 . ALA . 17098 1 393 . GLU . 17098 1 394 . GLU . 17098 1 395 . GLU . 17098 1 396 . GLU . 17098 1 397 . GLU . 17098 1 398 . GLU . 17098 1 399 . ALA . 17098 1 400 . GLU . 17098 1 401 . GLU . 17098 1 402 . GLY . 17098 1 403 . ALA . 17098 1 404 . GLU . 17098 1 405 . GLU . 17098 1 406 . GLY . 17098 1 407 . ALA . 17098 1 408 . GLU . 17098 1 409 . GLU . 17098 1 410 . GLY . 17098 1 411 . GLU . 17098 1 412 . GLU . 17098 1 413 . GLY . 17098 1 414 . GLU . 17098 1 415 . GLU . 17098 1 416 . ALA . 17098 1 417 . PRO . 17098 1 418 . PRO . 17098 1 419 . LYS . 17098 1 420 . PRO . 17098 1 421 . LYS . 17098 1 422 . LYS . 17098 1 423 . LYS . 17098 1 424 . LYS . 17098 1 425 . LYS . 17098 1 426 . VAL . 17098 1 427 . PHE . 17098 1 428 . ASN . 17098 1 429 . PRO . 17098 1 430 . ILE . 17098 1 431 . PRO . 17098 1 432 . GLY . 17098 1 433 . LEU . 17098 1 434 . GLN . 17098 1 435 . ALA . 17098 1 436 . ALA . 17098 1 437 . ILE . 17098 1 438 . GLU . 17098 1 439 . LYS . 17098 1 440 . LEU . 17098 1 441 . THR . 17098 1 442 . ALA . 17098 1 443 . ALA . 17098 1 444 . ALA . 17098 1 445 . GLU . 17098 1 446 . ALA . 17098 1 447 . ALA . 17098 1 448 . THR . 17098 1 449 . GLU . 17098 1 450 . ALA . 17098 1 451 . ASP . 17098 1 452 . ALA . 17098 1 453 . ARG . 17098 1 454 . ALA . 17098 1 455 . GLN . 17098 1 456 . ALA . 17098 1 457 . ALA . 17098 1 458 . VAL . 17098 1 459 . ALA . 17098 1 460 . LEU . 17098 1 461 . GLU . 17098 1 462 . LYS . 17098 1 463 . GLN . 17098 1 464 . ALA . 17098 1 465 . LEU . 17098 1 466 . ASP . 17098 1 467 . GLU . 17098 1 468 . VAL . 17098 1 469 . VAL . 17098 1 470 . ALA . 17098 1 471 . LEU . 17098 1 472 . ALA . 17098 1 473 . SER . 17098 1 474 . SER . 17098 1 475 . HIS . 17098 1 476 . SER . 17098 1 477 . ASP . 17098 1 478 . ALA . 17098 1 479 . THR . 17098 1 480 . LEU . 17098 1 481 . SER . 17098 1 482 . SER . 17098 1 483 . LEU . 17098 1 484 . ARG . 17098 1 485 . ASN . 17098 1 486 . MET . 17098 1 487 . LEU . 17098 1 488 . SER . 17098 1 489 . VAL . 17098 1 490 . PRO . 17098 1 491 . GLN . 17098 1 492 . GLY . 17098 1 493 . THR . 17098 1 494 . TYR . 17098 1 495 . HIS . 17098 1 496 . VAL . 17098 1 497 . VAL . 17098 1 498 . LYS . 17098 1 499 . ALA . 17098 1 500 . LEU . 17098 1 501 . LEU . 17098 1 502 . HIS . 17098 1 503 . LEU . 17098 1 504 . LEU . 17098 1 505 . GLY . 17098 1 506 . ARG . 17098 1 507 . PRO . 17098 1 508 . ALA . 17098 1 509 . ALA . 17098 1 510 . SER . 17098 1 511 . PHE . 17098 1 512 . SER . 17098 1 513 . THR . 17098 1 514 . TRP . 17098 1 515 . LYS . 17098 1 516 . ARG . 17098 1 517 . ALA . 17098 1 518 . HIS . 17098 1 519 . SER . 17098 1 520 . HIS . 17098 1 521 . PHE . 17098 1 522 . SER . 17098 1 523 . PRO . 17098 1 524 . ARG . 17098 1 525 . LEU . 17098 1 526 . PHE . 17098 1 527 . GLU . 17098 1 528 . ASP . 17098 1 529 . MET . 17098 1 530 . ALA . 17098 1 531 . ALA . 17098 1 532 . TYR . 17098 1 533 . ASP . 17098 1 534 . ALA . 17098 1 535 . THR . 17098 1 536 . ALA . 17098 1 537 . GLU . 17098 1 538 . ARG . 17098 1 539 . ASP . 17098 1 540 . MET . 17098 1 541 . ALA . 17098 1 542 . VAL . 17098 1 543 . TRP . 17098 1 544 . GLY . 17098 1 545 . ARG . 17098 1 546 . VAL . 17098 1 547 . ARG . 17098 1 548 . SER . 17098 1 549 . CYS . 17098 1 550 . TYR . 17098 1 551 . LYS . 17098 1 552 . ALA . 17098 1 553 . ALA . 17098 1 554 . PRO . 17098 1 555 . ALA . 17098 1 556 . ALA . 17098 1 557 . LYS . 17098 1 558 . LYS . 17098 1 559 . LEU . 17098 1 560 . ASP . 17098 1 561 . ALA . 17098 1 562 . GLU . 17098 1 563 . MET . 17098 1 564 . PRO . 17098 1 565 . ASN . 17098 1 566 . THR . 17098 1 567 . LEU . 17098 1 568 . PHE . 17098 1 569 . GLY . 17098 1 570 . SER . 17098 1 571 . VAL . 17098 1 572 . ALA . 17098 1 573 . LEU . 17098 1 574 . MET . 17098 1 575 . TYR . 17098 1 576 . ILE . 17098 1 577 . LYS . 17098 1 578 . GLN . 17098 1 579 . VAL . 17098 1 580 . ARG . 17098 1 581 . ARG . 17098 1 582 . VAL . 17098 1 583 . ALA . 17098 1 584 . ARG . 17098 1 585 . LYS . 17098 1 586 . ALA . 17098 1 587 . VAL . 17098 1 588 . LEU . 17098 1 589 . GLN . 17098 1 590 . ARG . 17098 1 591 . GLU . 17098 1 592 . LEU . 17098 1 593 . ALA . 17098 1 594 . ALA . 17098 1 595 . LYS . 17098 1 596 . LEU . 17098 1 597 . ALA . 17098 1 598 . LYS . 17098 1 599 . ALA . 17098 1 600 . GLN . 17098 1 601 . GLN . 17098 1 602 . ASP . 17098 1 603 . LEU . 17098 1 604 . ALA . 17098 1 605 . ASP . 17098 1 606 . LYS . 17098 1 607 . GLN . 17098 1 608 . ALA . 17098 1 609 . ALA . 17098 1 610 . LEU . 17098 1 611 . VAL . 17098 1 612 . GLU . 17098 1 613 . ALA . 17098 1 614 . GLU . 17098 1 615 . ARG . 17098 1 616 . VAL . 17098 1 617 . LYS . 17098 1 618 . ALA . 17098 1 619 . GLU . 17098 1 620 . ARG . 17098 1 621 . GLU . 17098 1 622 . ALA . 17098 1 623 . GLU . 17098 1 624 . GLU . 17098 1 625 . ALA . 17098 1 626 . ARG . 17098 1 627 . LEU . 17098 1 628 . ALA . 17098 1 629 . ALA . 17098 1 630 . GLU . 17098 1 631 . ALA . 17098 1 632 . GLU . 17098 1 633 . ALA . 17098 1 634 . ALA . 17098 1 635 . ALA . 17098 1 636 . ALA . 17098 1 637 . ALA . 17098 1 638 . GLU . 17098 1 639 . ALA . 17098 1 640 . GLU . 17098 1 641 . ALA . 17098 1 642 . ALA . 17098 1 643 . ALA . 17098 1 644 . ARG . 17098 1 645 . ALA . 17098 1 646 . ALA . 17098 1 647 . ALA . 17098 1 648 . GLU . 17098 1 649 . ALA . 17098 1 650 . GLU . 17098 1 651 . ALA . 17098 1 652 . ALA . 17098 1 653 . ALA . 17098 1 654 . ALA . 17098 1 655 . ALA . 17098 1 656 . GLU . 17098 1 657 . ALA . 17098 1 658 . ALA . 17098 1 659 . ALA . 17098 1 660 . GLU . 17098 1 661 . ALA . 17098 1 662 . ALA . 17098 1 663 . ALA . 17098 1 664 . GLU . 17098 1 665 . ALA . 17098 1 666 . ALA . 17098 1 667 . ALA . 17098 1 668 . ALA . 17098 1 669 . ALA . 17098 1 670 . ALA . 17098 1 671 . GLU . 17098 1 672 . ALA . 17098 1 673 . ALA . 17098 1 674 . ALA . 17098 1 675 . GLU . 17098 1 676 . ALA . 17098 1 677 . GLY . 17098 1 678 . GLU . 17098 1 679 . GLY . 17098 1 680 . GLU . 17098 1 681 . ALA . 17098 1 682 . VAL . 17098 1 683 . ALA . 17098 1 684 . GLU . 17098 1 685 . ARG . 17098 1 686 . GLU . 17098 1 687 . ALA . 17098 1 688 . ALA . 17098 1 689 . PRO . 17098 1 690 . ALA . 17098 1 691 . GLU . 17098 1 692 . ALA . 17098 1 693 . GLU . 17098 1 694 . ALA . 17098 1 695 . ALA . 17098 1 696 . PRO . 17098 1 697 . ALA . 17098 1 698 . GLU . 17098 1 699 . GLY . 17098 1 700 . GLU . 17098 1 701 . ALA . 17098 1 702 . ALA . 17098 1 703 . PRO . 17098 1 704 . PRO . 17098 1 705 . ALA . 17098 1 706 . GLU . 17098 1 707 . GLY . 17098 1 708 . GLU . 17098 1 709 . GLY . 17098 1 710 . GLU . 17098 1 711 . ALA . 17098 1 712 . GLN . 17098 1 713 . PRO . 17098 1 714 . ALA . 17098 1 715 . GLN . 17098 1 716 . GLU . 17098 1 717 . GLY . 17098 1 718 . SER . 17098 1 719 . ASN . 17098 1 720 . SER . 17098 1 721 . SER . 17098 1 722 . SER . 17098 1 723 . SER . 17098 1 724 . SER . 17098 1 725 . SER . 17098 1 726 . ASP . 17098 1 727 . SER . 17098 1 728 . SER . 17098 1 729 . SER . 17098 1 730 . SER . 17098 1 731 . GLU . 17098 1 732 . GLU . 17098 1 733 . SER . 17098 1 734 . LYS . 17098 1 735 . ALA . 17098 1 736 . ALA . 17098 1 737 . ALA . 17098 1 738 . GLU . 17098 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17098 1 . ALA 2 2 17098 1 . PRO 3 3 17098 1 . THR 4 4 17098 1 . GLN 5 5 17098 1 . ALA 6 6 17098 1 . GLY 7 7 17098 1 . HIS 8 8 17098 1 . ASP 9 9 17098 1 . THR 10 10 17098 1 . ALA 11 11 17098 1 . TYR 12 12 17098 1 . LEU 13 13 17098 1 . LYS 14 14 17098 1 . GLU 15 15 17098 1 . THR 16 16 17098 1 . VAL 17 17 17098 1 . GLY 18 18 17098 1 . GLU 19 19 17098 1 . ALA 20 20 17098 1 . LEU 21 21 17098 1 . ALA 22 22 17098 1 . ARG 23 23 17098 1 . GLY 24 24 17098 1 . CYS 25 25 17098 1 . ALA 26 26 17098 1 . ALA 27 27 17098 1 . ALA 28 28 17098 1 . ILE 29 29 17098 1 . SER 30 30 17098 1 . ALA 31 31 17098 1 . GLN 32 32 17098 1 . PRO 33 33 17098 1 . ASN 34 34 17098 1 . ASP 35 35 17098 1 . PRO 36 36 17098 1 . VAL 37 37 17098 1 . GLU 38 38 17098 1 . TYR 39 39 17098 1 . LEU 40 40 17098 1 . GLY 41 41 17098 1 . LEU 42 42 17098 1 . TRP 43 43 17098 1 . LEU 44 44 17098 1 . LEU 45 45 17098 1 . LYS 46 46 17098 1 . TYR 47 47 17098 1 . VAL 48 48 17098 1 . LYS 49 49 17098 1 . ASN 50 50 17098 1 . ALA 51 51 17098 1 . GLU 52 52 17098 1 . VAL 53 53 17098 1 . GLU 54 54 17098 1 . GLY 55 55 17098 1 . ASN 56 56 17098 1 . PHE 57 57 17098 1 . TYR 58 58 17098 1 . ARG 59 59 17098 1 . GLU 60 60 17098 1 . ARG 61 61 17098 1 . GLN 62 62 17098 1 . GLN 63 63 17098 1 . ASP 64 64 17098 1 . LEU 65 65 17098 1 . GLN 66 66 17098 1 . LYS 67 67 17098 1 . LYS 68 68 17098 1 . LYS 69 69 17098 1 . ASP 70 70 17098 1 . ARG 71 71 17098 1 . LEU 72 72 17098 1 . VAL 73 73 17098 1 . LYS 74 74 17098 1 . GLU 75 75 17098 1 . ALA 76 76 17098 1 . GLN 77 77 17098 1 . SER 78 78 17098 1 . GLU 79 79 17098 1 . GLN 80 80 17098 1 . ALA 81 81 17098 1 . ALA 82 82 17098 1 . LYS 83 83 17098 1 . SER 84 84 17098 1 . VAL 85 85 17098 1 . ALA 86 86 17098 1 . LEU 87 87 17098 1 . THR 88 88 17098 1 . ARG 89 89 17098 1 . LYS 90 90 17098 1 . GLU 91 91 17098 1 . ALA 92 92 17098 1 . ALA 93 93 17098 1 . ASP 94 94 17098 1 . ALA 95 95 17098 1 . LEU 96 96 17098 1 . ALA 97 97 17098 1 . LEU 98 98 17098 1 . VAL 99 99 17098 1 . THR 100 100 17098 1 . ALA 101 101 17098 1 . GLU 102 102 17098 1 . PRO 103 103 17098 1 . ARG 104 104 17098 1 . GLU 105 105 17098 1 . LEU 106 106 17098 1 . LEU 107 107 17098 1 . GLU 108 108 17098 1 . ALA 109 109 17098 1 . ALA 110 110 17098 1 . VAL 111 111 17098 1 . LYS 112 112 17098 1 . LEU 113 113 17098 1 . VAL 114 114 17098 1 . LYS 115 115 17098 1 . GLN 116 116 17098 1 . HIS 117 117 17098 1 . THR 118 118 17098 1 . ALA 119 119 17098 1 . ALA 120 120 17098 1 . GLY 121 121 17098 1 . ALA 122 122 17098 1 . ALA 123 123 17098 1 . TYR 124 124 17098 1 . ALA 125 125 17098 1 . ALA 126 126 17098 1 . VAL 127 127 17098 1 . VAL 128 128 17098 1 . ALA 129 129 17098 1 . GLU 130 130 17098 1 . PRO 131 131 17098 1 . GLU 132 132 17098 1 . GLU 133 133 17098 1 . PRO 134 134 17098 1 . ASP 135 135 17098 1 . TRP 136 136 17098 1 . VAL 137 137 17098 1 . ALA 138 138 17098 1 . PRO 139 139 17098 1 . GLU 140 140 17098 1 . ASP 141 141 17098 1 . ASP 142 142 17098 1 . GLU 143 143 17098 1 . ALA 144 144 17098 1 . ALA 145 145 17098 1 . ALA 146 146 17098 1 . VAL 147 147 17098 1 . GLU 148 148 17098 1 . THR 149 149 17098 1 . GLU 150 150 17098 1 . ASP 151 151 17098 1 . GLU 152 152 17098 1 . ALA 153 153 17098 1 . ALA 154 154 17098 1 . GLY 155 155 17098 1 . GLY 156 156 17098 1 . ALA 157 157 17098 1 . ALA 158 158 17098 1 . LEU 159 159 17098 1 . ALA 160 160 17098 1 . GLU 161 161 17098 1 . GLY 162 162 17098 1 . GLU 163 163 17098 1 . GLU 164 164 17098 1 . PRO 165 165 17098 1 . PRO 166 166 17098 1 . PRO 167 167 17098 1 . GLU 168 168 17098 1 . PRO 169 169 17098 1 . GLU 170 170 17098 1 . PRO 171 171 17098 1 . GLU 172 172 17098 1 . PRO 173 173 17098 1 . GLU 174 174 17098 1 . ALA 175 175 17098 1 . ALA 176 176 17098 1 . PRO 177 177 17098 1 . GLU 178 178 17098 1 . ASP 179 179 17098 1 . GLY 180 180 17098 1 . GLU 181 181 17098 1 . GLY 182 182 17098 1 . ASP 183 183 17098 1 . ALA 184 184 17098 1 . PRO 185 185 17098 1 . ALA 186 186 17098 1 . PRO 187 187 17098 1 . LYS 188 188 17098 1 . ILE 189 189 17098 1 . PRO 190 190 17098 1 . ARG 191 191 17098 1 . PRO 192 192 17098 1 . VAL 193 193 17098 1 . ASP 194 194 17098 1 . TYR 195 195 17098 1 . SER 196 196 17098 1 . LYS 197 197 17098 1 . LYS 198 198 17098 1 . TYR 199 199 17098 1 . PHE 200 200 17098 1 . ALA 201 201 17098 1 . TYR 202 202 17098 1 . VAL 203 203 17098 1 . ALA 204 204 17098 1 . ALA 205 205 17098 1 . SER 206 206 17098 1 . ALA 207 207 17098 1 . GLY 208 208 17098 1 . GLN 209 209 17098 1 . GLU 210 210 17098 1 . HIS 211 211 17098 1 . VAL 212 212 17098 1 . LEU 213 213 17098 1 . GLU 214 214 17098 1 . ALA 215 215 17098 1 . ASP 216 216 17098 1 . LEU 217 217 17098 1 . TYR 218 218 17098 1 . ARG 219 219 17098 1 . PRO 220 220 17098 1 . ALA 221 221 17098 1 . PRO 222 222 17098 1 . PRO 223 223 17098 1 . PRO 224 224 17098 1 . GLU 225 225 17098 1 . ASP 226 226 17098 1 . ALA 227 227 17098 1 . ASP 228 228 17098 1 . GLU 229 229 17098 1 . ASP 230 230 17098 1 . PHE 231 231 17098 1 . LYS 232 232 17098 1 . PRO 233 233 17098 1 . GLU 234 234 17098 1 . PRO 235 235 17098 1 . LEU 236 236 17098 1 . PRO 237 237 17098 1 . TYR 238 238 17098 1 . SER 239 239 17098 1 . PHE 240 240 17098 1 . ARG 241 241 17098 1 . VAL 242 242 17098 1 . LEU 243 243 17098 1 . ASP 244 244 17098 1 . GLU 245 245 17098 1 . LYS 246 246 17098 1 . LEU 247 247 17098 1 . PRO 248 248 17098 1 . MET 249 249 17098 1 . LEU 250 250 17098 1 . TYR 251 251 17098 1 . VAL 252 252 17098 1 . PRO 253 253 17098 1 . ASN 254 254 17098 1 . VAL 255 255 17098 1 . ALA 256 256 17098 1 . ALA 257 257 17098 1 . GLU 258 258 17098 1 . GLU 259 259 17098 1 . ARG 260 260 17098 1 . VAL 261 261 17098 1 . LYS 262 262 17098 1 . PHE 263 263 17098 1 . PHE 264 264 17098 1 . ARG 265 265 17098 1 . LYS 266 266 17098 1 . PHE 267 267 17098 1 . PRO 268 268 17098 1 . LYS 269 269 17098 1 . ILE 270 270 17098 1 . GLY 271 271 17098 1 . SER 272 272 17098 1 . TYR 273 273 17098 1 . GLN 274 274 17098 1 . ALA 275 275 17098 1 . CYS 276 276 17098 1 . GLY 277 277 17098 1 . VAL 278 278 17098 1 . ALA 279 279 17098 1 . LEU 280 280 17098 1 . PRO 281 281 17098 1 . ALA 282 282 17098 1 . SER 283 283 17098 1 . GLY 284 284 17098 1 . GLU 285 285 17098 1 . PHE 286 286 17098 1 . LYS 287 287 17098 1 . ALA 288 288 17098 1 . LEU 289 289 17098 1 . LEU 290 290 17098 1 . ALA 291 291 17098 1 . ALA 292 292 17098 1 . ASP 293 293 17098 1 . THR 294 294 17098 1 . LEU 295 295 17098 1 . PHE 296 296 17098 1 . PRO 297 297 17098 1 . GLU 298 298 17098 1 . GLY 299 299 17098 1 . SER 300 300 17098 1 . GLY 301 301 17098 1 . GLN 302 302 17098 1 . PRO 303 303 17098 1 . LEU 304 304 17098 1 . SER 305 305 17098 1 . ALA 306 306 17098 1 . ASP 307 307 17098 1 . ASP 308 308 17098 1 . ARG 309 309 17098 1 . ASP 310 310 17098 1 . PHE 311 311 17098 1 . VAL 312 312 17098 1 . TRP 313 313 17098 1 . GLU 314 314 17098 1 . VAL 315 315 17098 1 . SER 316 316 17098 1 . GLN 317 317 17098 1 . SER 318 318 17098 1 . LEU 319 319 17098 1 . SER 320 320 17098 1 . ARG 321 321 17098 1 . ALA 322 322 17098 1 . LEU 323 323 17098 1 . GLU 324 324 17098 1 . ALA 325 325 17098 1 . VAL 326 326 17098 1 . GLN 327 327 17098 1 . ALA 328 328 17098 1 . ARG 329 329 17098 1 . ALA 330 330 17098 1 . ALA 331 331 17098 1 . GLU 332 332 17098 1 . ALA 333 333 17098 1 . LEU 334 334 17098 1 . ALA 335 335 17098 1 . ALA 336 336 17098 1 . THR 337 337 17098 1 . SER 338 338 17098 1 . ALA 339 339 17098 1 . ALA 340 340 17098 1 . GLU 341 341 17098 1 . ALA 342 342 17098 1 . VAL 343 343 17098 1 . GLU 344 344 17098 1 . GLU 345 345 17098 1 . LEU 346 346 17098 1 . LYS 347 347 17098 1 . ALA 348 348 17098 1 . LYS 349 349 17098 1 . VAL 350 350 17098 1 . ALA 351 351 17098 1 . GLU 352 352 17098 1 . LEU 353 353 17098 1 . ARG 354 354 17098 1 . GLU 355 355 17098 1 . GLN 356 356 17098 1 . ALA 357 357 17098 1 . ALA 358 358 17098 1 . ALA 359 359 17098 1 . GLU 360 360 17098 1 . ALA 361 361 17098 1 . ALA 362 362 17098 1 . ALA 363 363 17098 1 . ALA 364 364 17098 1 . ALA 365 365 17098 1 . PRO 366 366 17098 1 . PRO 367 367 17098 1 . PRO 368 368 17098 1 . PRO 369 369 17098 1 . ALA 370 370 17098 1 . GLU 371 371 17098 1 . GLY 372 372 17098 1 . GLU 373 373 17098 1 . GLU 374 374 17098 1 . GLY 375 375 17098 1 . GLU 376 376 17098 1 . GLY 377 377 17098 1 . GLU 378 378 17098 1 . ALA 379 379 17098 1 . PRO 380 380 17098 1 . PRO 381 381 17098 1 . ALA 382 382 17098 1 . GLU 383 383 17098 1 . GLU 384 384 17098 1 . GLU 385 385 17098 1 . PRO 386 386 17098 1 . PRO 387 387 17098 1 . ALA 388 388 17098 1 . GLU 389 389 17098 1 . GLU 390 390 17098 1 . GLU 391 391 17098 1 . ALA 392 392 17098 1 . GLU 393 393 17098 1 . GLU 394 394 17098 1 . GLU 395 395 17098 1 . GLU 396 396 17098 1 . GLU 397 397 17098 1 . GLU 398 398 17098 1 . ALA 399 399 17098 1 . GLU 400 400 17098 1 . GLU 401 401 17098 1 . GLY 402 402 17098 1 . ALA 403 403 17098 1 . GLU 404 404 17098 1 . GLU 405 405 17098 1 . GLY 406 406 17098 1 . ALA 407 407 17098 1 . GLU 408 408 17098 1 . GLU 409 409 17098 1 . GLY 410 410 17098 1 . GLU 411 411 17098 1 . GLU 412 412 17098 1 . GLY 413 413 17098 1 . GLU 414 414 17098 1 . GLU 415 415 17098 1 . ALA 416 416 17098 1 . PRO 417 417 17098 1 . PRO 418 418 17098 1 . LYS 419 419 17098 1 . PRO 420 420 17098 1 . LYS 421 421 17098 1 . LYS 422 422 17098 1 . LYS 423 423 17098 1 . LYS 424 424 17098 1 . LYS 425 425 17098 1 . VAL 426 426 17098 1 . PHE 427 427 17098 1 . ASN 428 428 17098 1 . PRO 429 429 17098 1 . ILE 430 430 17098 1 . PRO 431 431 17098 1 . GLY 432 432 17098 1 . LEU 433 433 17098 1 . GLN 434 434 17098 1 . ALA 435 435 17098 1 . ALA 436 436 17098 1 . ILE 437 437 17098 1 . GLU 438 438 17098 1 . LYS 439 439 17098 1 . LEU 440 440 17098 1 . THR 441 441 17098 1 . ALA 442 442 17098 1 . ALA 443 443 17098 1 . ALA 444 444 17098 1 . GLU 445 445 17098 1 . ALA 446 446 17098 1 . ALA 447 447 17098 1 . THR 448 448 17098 1 . GLU 449 449 17098 1 . ALA 450 450 17098 1 . ASP 451 451 17098 1 . ALA 452 452 17098 1 . ARG 453 453 17098 1 . ALA 454 454 17098 1 . GLN 455 455 17098 1 . ALA 456 456 17098 1 . ALA 457 457 17098 1 . VAL 458 458 17098 1 . ALA 459 459 17098 1 . LEU 460 460 17098 1 . GLU 461 461 17098 1 . LYS 462 462 17098 1 . GLN 463 463 17098 1 . ALA 464 464 17098 1 . LEU 465 465 17098 1 . ASP 466 466 17098 1 . GLU 467 467 17098 1 . VAL 468 468 17098 1 . VAL 469 469 17098 1 . ALA 470 470 17098 1 . LEU 471 471 17098 1 . ALA 472 472 17098 1 . SER 473 473 17098 1 . SER 474 474 17098 1 . HIS 475 475 17098 1 . SER 476 476 17098 1 . ASP 477 477 17098 1 . ALA 478 478 17098 1 . THR 479 479 17098 1 . LEU 480 480 17098 1 . SER 481 481 17098 1 . SER 482 482 17098 1 . LEU 483 483 17098 1 . ARG 484 484 17098 1 . ASN 485 485 17098 1 . MET 486 486 17098 1 . LEU 487 487 17098 1 . SER 488 488 17098 1 . VAL 489 489 17098 1 . PRO 490 490 17098 1 . GLN 491 491 17098 1 . GLY 492 492 17098 1 . THR 493 493 17098 1 . TYR 494 494 17098 1 . HIS 495 495 17098 1 . VAL 496 496 17098 1 . VAL 497 497 17098 1 . LYS 498 498 17098 1 . ALA 499 499 17098 1 . LEU 500 500 17098 1 . LEU 501 501 17098 1 . HIS 502 502 17098 1 . LEU 503 503 17098 1 . LEU 504 504 17098 1 . GLY 505 505 17098 1 . ARG 506 506 17098 1 . PRO 507 507 17098 1 . ALA 508 508 17098 1 . ALA 509 509 17098 1 . SER 510 510 17098 1 . PHE 511 511 17098 1 . SER 512 512 17098 1 . THR 513 513 17098 1 . TRP 514 514 17098 1 . LYS 515 515 17098 1 . ARG 516 516 17098 1 . ALA 517 517 17098 1 . HIS 518 518 17098 1 . SER 519 519 17098 1 . HIS 520 520 17098 1 . PHE 521 521 17098 1 . SER 522 522 17098 1 . PRO 523 523 17098 1 . ARG 524 524 17098 1 . LEU 525 525 17098 1 . PHE 526 526 17098 1 . GLU 527 527 17098 1 . ASP 528 528 17098 1 . MET 529 529 17098 1 . ALA 530 530 17098 1 . ALA 531 531 17098 1 . TYR 532 532 17098 1 . ASP 533 533 17098 1 . ALA 534 534 17098 1 . THR 535 535 17098 1 . ALA 536 536 17098 1 . GLU 537 537 17098 1 . ARG 538 538 17098 1 . ASP 539 539 17098 1 . MET 540 540 17098 1 . ALA 541 541 17098 1 . VAL 542 542 17098 1 . TRP 543 543 17098 1 . GLY 544 544 17098 1 . ARG 545 545 17098 1 . VAL 546 546 17098 1 . ARG 547 547 17098 1 . SER 548 548 17098 1 . CYS 549 549 17098 1 . TYR 550 550 17098 1 . LYS 551 551 17098 1 . ALA 552 552 17098 1 . ALA 553 553 17098 1 . PRO 554 554 17098 1 . ALA 555 555 17098 1 . ALA 556 556 17098 1 . LYS 557 557 17098 1 . LYS 558 558 17098 1 . LEU 559 559 17098 1 . ASP 560 560 17098 1 . ALA 561 561 17098 1 . GLU 562 562 17098 1 . MET 563 563 17098 1 . PRO 564 564 17098 1 . ASN 565 565 17098 1 . THR 566 566 17098 1 . LEU 567 567 17098 1 . PHE 568 568 17098 1 . GLY 569 569 17098 1 . SER 570 570 17098 1 . VAL 571 571 17098 1 . ALA 572 572 17098 1 . LEU 573 573 17098 1 . MET 574 574 17098 1 . TYR 575 575 17098 1 . ILE 576 576 17098 1 . LYS 577 577 17098 1 . GLN 578 578 17098 1 . VAL 579 579 17098 1 . ARG 580 580 17098 1 . ARG 581 581 17098 1 . VAL 582 582 17098 1 . ALA 583 583 17098 1 . ARG 584 584 17098 1 . LYS 585 585 17098 1 . ALA 586 586 17098 1 . VAL 587 587 17098 1 . LEU 588 588 17098 1 . GLN 589 589 17098 1 . ARG 590 590 17098 1 . GLU 591 591 17098 1 . LEU 592 592 17098 1 . ALA 593 593 17098 1 . ALA 594 594 17098 1 . LYS 595 595 17098 1 . LEU 596 596 17098 1 . ALA 597 597 17098 1 . LYS 598 598 17098 1 . ALA 599 599 17098 1 . GLN 600 600 17098 1 . GLN 601 601 17098 1 . ASP 602 602 17098 1 . LEU 603 603 17098 1 . ALA 604 604 17098 1 . ASP 605 605 17098 1 . LYS 606 606 17098 1 . GLN 607 607 17098 1 . ALA 608 608 17098 1 . ALA 609 609 17098 1 . LEU 610 610 17098 1 . VAL 611 611 17098 1 . GLU 612 612 17098 1 . ALA 613 613 17098 1 . GLU 614 614 17098 1 . ARG 615 615 17098 1 . VAL 616 616 17098 1 . LYS 617 617 17098 1 . ALA 618 618 17098 1 . GLU 619 619 17098 1 . ARG 620 620 17098 1 . GLU 621 621 17098 1 . ALA 622 622 17098 1 . GLU 623 623 17098 1 . GLU 624 624 17098 1 . ALA 625 625 17098 1 . ARG 626 626 17098 1 . LEU 627 627 17098 1 . ALA 628 628 17098 1 . ALA 629 629 17098 1 . GLU 630 630 17098 1 . ALA 631 631 17098 1 . GLU 632 632 17098 1 . ALA 633 633 17098 1 . ALA 634 634 17098 1 . ALA 635 635 17098 1 . ALA 636 636 17098 1 . ALA 637 637 17098 1 . GLU 638 638 17098 1 . ALA 639 639 17098 1 . GLU 640 640 17098 1 . ALA 641 641 17098 1 . ALA 642 642 17098 1 . ALA 643 643 17098 1 . ARG 644 644 17098 1 . ALA 645 645 17098 1 . ALA 646 646 17098 1 . ALA 647 647 17098 1 . GLU 648 648 17098 1 . ALA 649 649 17098 1 . GLU 650 650 17098 1 . ALA 651 651 17098 1 . ALA 652 652 17098 1 . ALA 653 653 17098 1 . ALA 654 654 17098 1 . ALA 655 655 17098 1 . GLU 656 656 17098 1 . ALA 657 657 17098 1 . ALA 658 658 17098 1 . ALA 659 659 17098 1 . GLU 660 660 17098 1 . ALA 661 661 17098 1 . ALA 662 662 17098 1 . ALA 663 663 17098 1 . GLU 664 664 17098 1 . ALA 665 665 17098 1 . ALA 666 666 17098 1 . ALA 667 667 17098 1 . ALA 668 668 17098 1 . ALA 669 669 17098 1 . ALA 670 670 17098 1 . GLU 671 671 17098 1 . ALA 672 672 17098 1 . ALA 673 673 17098 1 . ALA 674 674 17098 1 . GLU 675 675 17098 1 . ALA 676 676 17098 1 . GLY 677 677 17098 1 . GLU 678 678 17098 1 . GLY 679 679 17098 1 . GLU 680 680 17098 1 . ALA 681 681 17098 1 . VAL 682 682 17098 1 . ALA 683 683 17098 1 . GLU 684 684 17098 1 . ARG 685 685 17098 1 . GLU 686 686 17098 1 . ALA 687 687 17098 1 . ALA 688 688 17098 1 . PRO 689 689 17098 1 . ALA 690 690 17098 1 . GLU 691 691 17098 1 . ALA 692 692 17098 1 . GLU 693 693 17098 1 . ALA 694 694 17098 1 . ALA 695 695 17098 1 . PRO 696 696 17098 1 . ALA 697 697 17098 1 . GLU 698 698 17098 1 . GLY 699 699 17098 1 . GLU 700 700 17098 1 . ALA 701 701 17098 1 . ALA 702 702 17098 1 . PRO 703 703 17098 1 . PRO 704 704 17098 1 . ALA 705 705 17098 1 . GLU 706 706 17098 1 . GLY 707 707 17098 1 . GLU 708 708 17098 1 . GLY 709 709 17098 1 . GLU 710 710 17098 1 . ALA 711 711 17098 1 . GLN 712 712 17098 1 . PRO 713 713 17098 1 . ALA 714 714 17098 1 . GLN 715 715 17098 1 . GLU 716 716 17098 1 . GLY 717 717 17098 1 . SER 718 718 17098 1 . ASN 719 719 17098 1 . SER 720 720 17098 1 . SER 721 721 17098 1 . SER 722 722 17098 1 . SER 723 723 17098 1 . SER 724 724 17098 1 . SER 725 725 17098 1 . ASP 726 726 17098 1 . SER 727 727 17098 1 . SER 728 728 17098 1 . SER 729 729 17098 1 . SER 730 730 17098 1 . GLU 731 731 17098 1 . GLU 732 732 17098 1 . SER 733 733 17098 1 . LYS 734 734 17098 1 . ALA 735 735 17098 1 . ALA 736 736 17098 1 . ALA 737 737 17098 1 . GLU 738 738 17098 1 stop_ save_ save_ATP _Entity.Sf_category entity _Entity.Sf_framecode ATP _Entity.Entry_ID 17098 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ATP _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ATP _Entity.Nonpolymer_comp_label $chem_comp_ATP _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ATP . 17098 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17098 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RSP2 . 3055 organism . 'Chlamydomonas reinhardtii' 'Green algae' . . Eukaryota Viridiplantae Chlamydomonas reinhardtii . . . . . . . . . . . . . . . . . . . . . 17098 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17098 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RSP2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . pET . . . . . . 17098 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ATP _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ATP _Chem_comp.Entry_ID 17098 _Chem_comp.ID ATP _Chem_comp.Provenance . _Chem_comp.Name ADENOSINE-5'-TRIPHOSPHATE _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ATP _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ATP _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C10 H16 N5 O13 P3' _Chem_comp.Formula_weight 507.181 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1B0U _Chem_comp.Processing_site PDBe _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 13:00:26 2009 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N SMILES 'OpenEye OEToolkits' 1.5.0 17098 ATP c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17098 ATP InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h18-19,21,23H,11H2 InChI InChI 1.02b 17098 ATP Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.341 17098 ATP Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.341 17098 ATP O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O SMILES ACDLabs 10.04 17098 ATP ZKHQWZAMYRWXGA-FJYXAIENDD InChIKey InChI 1.02b 17098 ATP stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17098 ATP 'adenosine 5'-(tetrahydrogen triphosphate)' 'SYSTEMATIC NAME' ACDLabs 10.04 17098 ATP stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1' . C1' . . C . . R 0 . . . . . . . . . . 48.133 . 38.409 . 51.721 . -0.830 -0.418 3.647 . . 17098 ATP C2 . C2 . . C . . N 0 . . . . . . . . . . 51.493 . 38.151 . 49.029 . 0.644 -1.352 7.783 . . 17098 ATP C2' . C2' . . C . . R 0 . . . . . . . . . . 48.719 . 38.116 . 53.139 . -2.011 0.555 3.856 . . 17098 ATP C3' . C3' . . C . . S 0 . . . . . . . . . . 47.808 . 38.874 . 54.112 . -2.683 0.630 2.465 . . 17098 ATP C4 . C4 . . C . . N 0 . . . . . . . . . . 49.892 . 39.253 . 50.171 . 0.644 -0.371 5.704 . . 17098 ATP C4' . C4' . . C . . R 0 . . . . . . . . . . 46.520 . 38.989 . 53.364 . -1.831 -0.309 1.584 . . 17098 ATP C5 . C5 . . C . . N 0 . . . . . . . . . . 50.232 . 40.470 . 49.664 . 1.833 0.300 6.033 . . 17098 ATP C5' . C5' . . C . . N 0 . . . . . . . . . . 46.609 . 40.422 . 53.542 . -1.694 0.260 0.170 . . 17098 ATP C6 . C6 . . C . . N 0 . . . . . . . . . . 51.308 . 40.466 . 48.731 . 2.391 0.077 7.303 . . 17098 ATP C8 . C8 . . C . . N 0 . . . . . . . . . . 48.616 . 40.842 . 50.945 . 1.302 0.879 4.012 . . 17098 ATP H1' . H1' . . H . . N 0 . . . . . . . . . . 48.203 . 37.474 . 51.117 . -1.119 -1.430 3.931 . . 17098 ATP H2 . H2 . . H . . N 0 . . . . . . . . . . 52.036 . 37.229 . 48.759 . 0.166 -2.014 8.490 . . 17098 ATP H2' . H2' . . H . . N 0 . . . . . . . . . . 49.788 . 38.422 . 53.212 . -1.646 1.537 4.157 . . 17098 ATP H3' . H3' . . H . . N 0 . . . . . . . . . . 48.234 . 39.870 . 54.375 . -2.651 1.649 2.078 . . 17098 ATP H4' . H4' . . H . . N 0 . . . . . . . . . . 45.665 . 38.327 . 53.639 . -2.275 -1.304 1.550 . . 17098 ATP H5'1 . H5'1 . . H . . N 0 . . . . . . . . . . 47.666 . 40.570 . 53.221 . -2.678 0.312 -0.296 . . 17098 ATP H5'2 . H5'2 . . H . . N 0 . . . . . . . . . . 46.587 . 40.459 . 54.656 . -1.263 1.259 0.221 . . 17098 ATP H8 . H8 . . H . . N 0 . . . . . . . . . . 47.836 . 41.390 . 51.499 . 1.334 1.357 3.044 . . 17098 ATP HN61 . HN61 . . H . . N 0 . . . . . . . . . . 52.491 . 41.565 . 47.460 . 3.938 0.548 8.562 . . 17098 ATP HN62 . HN62 . . H . . N 0 . . . . . . . . . . 51.940 . 42.252 . 48.852 . 4.015 1.303 7.064 . . 17098 ATP HO2' . HO2' . . H . . N 0 . . . . . . . . . . 49.196 . 36.267 . 52.822 . -3.667 0.662 4.867 . . 17098 ATP HO3' . HO3' . . H . . N 0 . . . . . . . . . . 48.532 . 38.283 . 55.898 . -4.515 0.788 3.094 . . 17098 ATP HOA2 . HOA2 . . H . . N 0 . . . . . . . . . . 43.423 . 41.710 . 52.660 . 0.752 1.455 -1.563 . . 17098 ATP HOB2 . HOB2 . . H . . N 0 . . . . . . . . . . 44.228 . 45.447 . 54.456 . -1.554 -0.952 -5.132 . . 17098 ATP HOG2 . HOG2 . . H . . N 0 . . . . . . . . . . 47.590 . 43.767 . 57.197 . 2.100 -0.546 -8.725 . . 17098 ATP HOG3 . HOG3 . . H . . N 0 . . . . . . . . . . 46.180 . 44.800 . 58.946 . -0.616 -1.048 -7.522 . . 17098 ATP N1 . N1 . . N . . N 0 . . . . . . . . . . 51.912 . 39.274 . 48.447 . 1.763 -0.747 8.135 . . 17098 ATP N3 . N3 . . N . . N 0 . . . . . . . . . . 50.491 . 38.016 . 49.900 . 0.088 -1.178 6.602 . . 17098 ATP N6 . N6 . . N . . N 0 . . . . . . . . . . 51.721 . 41.568 . 48.129 . 3.564 0.706 7.681 . . 17098 ATP N7 . N7 . . N . . N 0 . . . . . . . . . . 49.425 . 41.489 . 50.165 . 2.184 1.042 4.955 . . 17098 ATP N9 . N9 . . N . . N 0 . . . . . . . . . . 48.846 . 39.464 . 50.986 . 0.332 0.015 4.425 . . 17098 ATP O1A . O1A . . O . . N 0 . . . . . . . . . . 46.380 . 43.396 . 52.788 . -2.097 0.143 -2.669 . . 17098 ATP O1B . O1B . . O . . N 0 . . . . . . . . . . 42.975 . 42.722 . 55.986 . 0.810 1.234 -4.304 . . 17098 ATP O1G . O1G . . O . . N 0 . . . . . . . . . . 45.779 . 46.330 . 56.052 . 1.740 1.140 -6.672 . . 17098 ATP O2' . O2' . . O . . N 0 . . . . . . . . . . 48.632 . 36.737 . 53.425 . -2.926 0.043 4.827 . . 17098 ATP O2A . O2A . . O . . N 0 . . . . . . . . . . 44.183 . 42.190 . 52.351 . -0.125 1.549 -1.957 . . 17098 ATP O2B . O2B . . O . . N 0 . . . . . . . . . . 43.603 . 44.767 . 54.678 . -1.231 -0.044 -5.057 . . 17098 ATP O2G . O2G . . O . . N 0 . . . . . . . . . . 47.382 . 44.497 . 56.626 . 2.123 -1.036 -7.891 . . 17098 ATP O3' . O3' . . O . . N 0 . . . . . . . . . . 47.713 . 38.357 . 55.423 . -4.033 0.165 2.534 . . 17098 ATP O3A . O3A . . O . . N 0 . . . . . . . . . . 44.917 . 42.716 . 54.789 . 0.203 -0.840 -3.002 . . 17098 ATP O3B . O3B . . O . . N 0 . . . . . . . . . . 45.041 . 44.015 . 56.738 . 1.192 -0.990 -5.433 . . 17098 ATP O3G . O3G . . O . . N 0 . . . . . . . . . . 45.972 . 45.530 . 58.375 . -0.302 -0.139 -7.421 . . 17098 ATP O4' . O4' . . O . . N 0 . . . . . . . . . . 46.785 . 38.908 . 51.948 . -0.542 -0.355 2.234 . . 17098 ATP O5' . O5' . . O . . N 0 . . . . . . . . . . 46.172 . 41.568 . 53.302 . -0.844 -0.587 -0.604 . . 17098 ATP PA . PA . . P . . R 0 . . . . . . . . . . 45.228 . 42.669 . 53.257 . -0.745 0.068 -2.071 . . 17098 ATP PB . PB . . P . . R 0 . . . . . . . . . . 43.911 . 43.740 . 55.655 . 0.255 -0.130 -4.446 . . 17098 ATP PG . PG . . P . . N 0 . . . . . . . . . . 46.107 . 45.182 . 56.950 . 1.200 -0.226 -6.850 . . 17098 ATP stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB PG O1G . . 1 . 17098 ATP 2 . SING PG O2G . . 2 . 17098 ATP 3 . SING PG O3G . . 3 . 17098 ATP 4 . SING PG O3B . . 4 . 17098 ATP 5 . SING O2G HOG2 . . 5 . 17098 ATP 6 . SING O3G HOG3 . . 6 . 17098 ATP 7 . DOUB PB O1B . . 7 . 17098 ATP 8 . SING PB O2B . . 8 . 17098 ATP 9 . SING PB O3B . . 9 . 17098 ATP 10 . SING PB O3A . . 10 . 17098 ATP 11 . SING O2B HOB2 . . 11 . 17098 ATP 12 . DOUB PA O1A . . 12 . 17098 ATP 13 . SING PA O2A . . 13 . 17098 ATP 14 . SING PA O3A . . 14 . 17098 ATP 15 . SING PA O5' . . 15 . 17098 ATP 16 . SING O2A HOA2 . . 16 . 17098 ATP 17 . SING O5' C5' . . 17 . 17098 ATP 18 . SING C5' C4' . . 18 . 17098 ATP 19 . SING C5' H5'1 . . 19 . 17098 ATP 20 . SING C5' H5'2 . . 20 . 17098 ATP 21 . SING C4' O4' . . 21 . 17098 ATP 22 . SING C4' C3' . . 22 . 17098 ATP 23 . SING C4' H4' . . 23 . 17098 ATP 24 . SING O4' C1' . . 24 . 17098 ATP 25 . SING C3' O3' . . 25 . 17098 ATP 26 . SING C3' C2' . . 26 . 17098 ATP 27 . SING C3' H3' . . 27 . 17098 ATP 28 . SING O3' HO3' . . 28 . 17098 ATP 29 . SING C2' O2' . . 29 . 17098 ATP 30 . SING C2' C1' . . 30 . 17098 ATP 31 . SING C2' H2' . . 31 . 17098 ATP 32 . SING O2' HO2' . . 32 . 17098 ATP 33 . SING C1' N9 . . 33 . 17098 ATP 34 . SING C1' H1' . . 34 . 17098 ATP 35 . SING N9 C8 . . 35 . 17098 ATP 36 . SING N9 C4 . . 36 . 17098 ATP 37 . DOUB C8 N7 . . 37 . 17098 ATP 38 . SING C8 H8 . . 38 . 17098 ATP 39 . SING N7 C5 . . 39 . 17098 ATP 40 . SING C5 C6 . . 40 . 17098 ATP 41 . DOUB C5 C4 . . 41 . 17098 ATP 42 . SING C6 N6 . . 42 . 17098 ATP 43 . DOUB C6 N1 . . 43 . 17098 ATP 44 . SING N6 HN61 . . 44 . 17098 ATP 45 . SING N6 HN62 . . 45 . 17098 ATP 46 . SING N1 C2 . . 46 . 17098 ATP 47 . DOUB C2 N3 . . 47 . 17098 ATP 48 . SING C2 H2 . . 48 . 17098 ATP 49 . SING N3 C4 . . 49 . 17098 ATP stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17098 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17098 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17098 1 3 RSP2 'natural abundance' . . 1 $RSP2 . . 10 . . uM . . . . 17098 1 4 ATP 'natural abundance' . . 2 $ATP . . 1 . . mM . . . . 17098 1 5 GTP 'natural abundance' . . . . . . 1 . . mM . . . . 17098 1 6 CMP 'natural abundance' . . . . . . 1 . . mM . . . . 17098 1 7 PCG 'natural abundance' . . . . . . 1 . . mM . . . . 17098 1 8 cCMP 'natural abundance' . . . . . . 1 . . mM . . . . 17098 1 9 AMP 'natural abundance' . . . . . . 1 . . mM . . . . 17098 1 10 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17098 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17098 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 17098 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17098 2 3 RSP2 'natural abundance' . . 1 $RSP2 . . 10 . . uM . . . . 17098 2 4 ATP 'natural abundance' . . 2 $ATP . . 1 . . mM . . . . 17098 2 5 GTP 'natural abundance' . . . . . . 1 . . mM . . . . 17098 2 6 CMP 'natural abundance' . . . . . . 1 . . mM . . . . 17098 2 7 PCG 'natural abundance' . . . . . . 1 . . mM . . . . 17098 2 8 cCMP 'natural abundance' . . . . . . 1 . . mM . . . . 17098 2 9 AMP 'natural abundance' . . . . . . 1 . . mM . . . . 17098 2 10 MG 'natural abundance' . . . . . . 4 . . mM . . . . 17098 2 11 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17098 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17098 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.4 . pH 17098 1 pressure 1 . atm 17098 1 temperature 277 . K 17098 1 stop_ save_ ############################ # Computer software used # ############################ save_MestRe-C _Software.Sf_category software _Software.Sf_framecode MestRe-C _Software.Entry_ID 17098 _Software.ID 1 _Software.Name MestRe-C _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(University of Santiago, Spain)' . . 17098 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17098 1 stop_ save_ save_SigmaPlot _Software.Sf_category software _Software.Sf_framecode SigmaPlot _Software.Entry_ID 17098 _Software.ID 2 _Software.Name SigmaPlot _Software.Version 8.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'aspire software international' . . 17098 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17098 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17098 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Madison NMR facility' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 300 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 121.5 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17098 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 300 . 121.5 'Madison NMR facility' . . 17098 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17098 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1D STD 1H NMR' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17098 1 2 '1D STD 1H NMR' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17098 1 stop_ save_ save_Chemical_rate_list _Chemical_rate_list.Sf_category chemical_rates _Chemical_rate_list.Sf_framecode Chemical_rate_list _Chemical_rate_list.Entry_ID 17098 _Chemical_rate_list.ID 1 _Chemical_rate_list.Sample_condition_list_ID 1 _Chemical_rate_list.Sample_condition_list_label $sample_conditions_1 _Chemical_rate_list.Details . _Chemical_rate_list.Text_data_format . _Chemical_rate_list.Text_data . loop_ _Chemical_rate_experiment.Experiment_ID _Chemical_rate_experiment.Experiment_name _Chemical_rate_experiment.Sample_ID _Chemical_rate_experiment.Sample_label _Chemical_rate_experiment.Sample_state _Chemical_rate_experiment.Entry_ID _Chemical_rate_experiment.Chemical_rate_list_ID 1 '1D STD 1H NMR' 1 $sample_1 isotropic 17098 1 2 '1D STD 1H NMR' 2 $sample_2 isotropic 17098 1 stop_ loop_ _Chemical_rate_software.Software_ID _Chemical_rate_software.Software_label _Chemical_rate_software.Method_ID _Chemical_rate_software.Method_label _Chemical_rate_software.Entry_ID _Chemical_rate_software.Chemical_rate_list_ID 1 $MestRe-C . . 17098 1 2 $SigmaPlot . . 17098 1 stop_ loop_ _Chemical_rate.ID _Chemical_rate.Assembly_ID _Chemical_rate.Assembly_atom_ID _Chemical_rate.Entity_assembly_ID _Chemical_rate.Entity_ID _Chemical_rate.Comp_index_ID _Chemical_rate.Seq_ID _Chemical_rate.Comp_ID _Chemical_rate.Atom_ID _Chemical_rate.Atom_type _Chemical_rate.Atom_isotope_number _Chemical_rate.Val_type _Chemical_rate.Val _Chemical_rate.Val_min _Chemical_rate.Val_max _Chemical_rate.Val_err _Chemical_rate.Val_units _Chemical_rate.Resonance_ID _Chemical_rate.Auth_entity_assembly_ID _Chemical_rate.Auth_seq_ID _Chemical_rate.Auth_comp_ID _Chemical_rate.Auth_atom_ID _Chemical_rate.Entry_ID _Chemical_rate.Chemical_rate_list_ID 1 1 . 1 1 . . . . . . k' 45 . . . us-1 . . . . . 17098 1 stop_ save_