data_27202 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27202 _Entry.Title ; Extrinsic methylthiocysteine labels of cytosolic domain of NADPH cytochrome P450 oxidoreductase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-08-06 _Entry.Accession_date 2017-08-06 _Entry.Last_release_date 2017-08-10 _Entry.Original_release_date 2017-08-10 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details ; Chemical shift assignment of extrinsic methylthiocysteine labels in NADPH cytochrome P450 oxidoreductase. Into original cysteine-less construct mutations Q157C and Q517C were introduced via mutagenesis. Later on those cysteines were labeled with methyl-methanethiosulfonate to result methylthiocysteine groups. ; _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.ORCID _Entry_author.Entry_ID 1 Azamat Galiakhmetov . R. . . 27202 2 Evgueni Kovrigin . L. . . 27202 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 27202 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 6 27202 '1H chemical shifts' 6 27202 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 2 . . 2018-03-28 2017-08-06 update BMRB 'update entry citation' 27202 1 . . 2017-12-11 2017-08-06 original author 'original release' 27202 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27202 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 29168021 _Citation.Full_citation . _Citation.Title ; Application of methyl-TROSY to a large paramagnetic membrane protein without perdeuteration: 13C-MMTS-labeled NADPH-cytochrome P450 oxidoreductase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 70 _Citation.Journal_issue 1 _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 21 _Citation.Page_last 31 _Citation.Year 2018 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Azamat Galiakhmetov . R. . . 27202 1 2 Elizaveta Kovrigina . A. . . 27202 1 3 Chuanwu Xia . . . . 27202 1 4 Jung-Ja Kim . . . . 27202 1 5 Evgueni Kovrigin . L. . . 27202 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27202 _Assembly.ID 1 _Assembly.Name POR _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic yes _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 POR 1 $oxidoreductase A . yes native no no . . . 27202 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_oxidoreductase _Entity.Sf_category entity _Entity.Sf_framecode oxidoreductase _Entity.Entry_ID 27202 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name oxidoreductase _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 ; IQTTAPPVKESSFVEKMKKT GRNIIVFYGSQTGTAEEFAN RLSKDAHRYGMRGMSADPEE YDLADLSSLPEIDKSLVVFC MATYGEGDPTDNAQDFYDWL QETDVDLTGVKFAVFGLGNK TYEHFNAMGKYVDQRLEQLG AQRIFELGLGDDDGNLEEDF ITWREQFWPAVCEFFGVEAT GEESSIRQYELVVHEDMDVA KVYTGEMGRLKSYENQKPPF DAKNPFLAAVTANRKLNQGT ERHLMHLELDISDSKIRYES GDHVAVYPANDSALVNQIGE ILGADLDVIMSLNNLDEESN KKHPFPCPTTYRTALTYYLD ITNPPRTNVLYELAQYASEP SEQEHLHKMASSSGEGKELY LSWVVEARRHILAILQDYPS LRPPIDHLCELLPRLQARYY SIASSSKVHPNSVHICAVAV EYEAKSGRVNKGVATSWLRA KEPAGENGGRALVPMFVRKS QFRLPFKSTTPVIMVGPGTG IAPFMGFIQERAWLREQGKE VGETLLYYGCRRSDEDYLYR EELARFHKDGALTQLNVAFS REQAHKVYVQHLLKRDREHL WKLIHEGGAHIYVCGDARNM AKDVQNTFYDIVAEFGPMEH TQAVDYVKKLMTKGRYSLDV WS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer yes _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 622 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic yes _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _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 . ILE . 27202 1 2 . GLN . 27202 1 3 . THR . 27202 1 4 . THR . 27202 1 5 . ALA . 27202 1 6 . PRO . 27202 1 7 . PRO . 27202 1 8 . VAL . 27202 1 9 . LYS . 27202 1 10 . GLU . 27202 1 11 . SER . 27202 1 12 . SER . 27202 1 13 . PHE . 27202 1 14 . VAL . 27202 1 15 . GLU . 27202 1 16 . LYS . 27202 1 17 . MET . 27202 1 18 . LYS . 27202 1 19 . LYS . 27202 1 20 . THR . 27202 1 21 . GLY . 27202 1 22 . ARG . 27202 1 23 . ASN . 27202 1 24 . ILE . 27202 1 25 . ILE . 27202 1 26 . VAL . 27202 1 27 . PHE . 27202 1 28 . TYR . 27202 1 29 . GLY . 27202 1 30 . SER . 27202 1 31 . GLN . 27202 1 32 . THR . 27202 1 33 . GLY . 27202 1 34 . THR . 27202 1 35 . ALA . 27202 1 36 . GLU . 27202 1 37 . GLU . 27202 1 38 . PHE . 27202 1 39 . ALA . 27202 1 40 . ASN . 27202 1 41 . ARG . 27202 1 42 . LEU . 27202 1 43 . SER . 27202 1 44 . LYS . 27202 1 45 . ASP . 27202 1 46 . ALA . 27202 1 47 . HIS . 27202 1 48 . ARG . 27202 1 49 . TYR . 27202 1 50 . GLY . 27202 1 51 . MET . 27202 1 52 . ARG . 27202 1 53 . GLY . 27202 1 54 . MET . 27202 1 55 . SER . 27202 1 56 . ALA . 27202 1 57 . ASP . 27202 1 58 . PRO . 27202 1 59 . GLU . 27202 1 60 . GLU . 27202 1 61 . TYR . 27202 1 62 . ASP . 27202 1 63 . LEU . 27202 1 64 . ALA . 27202 1 65 . ASP . 27202 1 66 . LEU . 27202 1 67 . SER . 27202 1 68 . SER . 27202 1 69 . LEU . 27202 1 70 . PRO . 27202 1 71 . GLU . 27202 1 72 . ILE . 27202 1 73 . ASP . 27202 1 74 . LYS . 27202 1 75 . SER . 27202 1 76 . LEU . 27202 1 77 . VAL . 27202 1 78 . VAL . 27202 1 79 . PHE . 27202 1 80 . CYS . 27202 1 81 . MET . 27202 1 82 . ALA . 27202 1 83 . THR . 27202 1 84 . TYR . 27202 1 85 . GLY . 27202 1 86 . GLU . 27202 1 87 . GLY . 27202 1 88 . ASP . 27202 1 89 . PRO . 27202 1 90 . THR . 27202 1 91 . ASP . 27202 1 92 . ASN . 27202 1 93 . ALA . 27202 1 94 . GLN . 27202 1 95 . ASP . 27202 1 96 . PHE . 27202 1 97 . TYR . 27202 1 98 . ASP . 27202 1 99 . TRP . 27202 1 100 . LEU . 27202 1 101 . GLN . 27202 1 102 . GLU . 27202 1 103 . THR . 27202 1 104 . ASP . 27202 1 105 . VAL . 27202 1 106 . ASP . 27202 1 107 . LEU . 27202 1 108 . THR . 27202 1 109 . GLY . 27202 1 110 . VAL . 27202 1 111 . LYS . 27202 1 112 . PHE . 27202 1 113 . ALA . 27202 1 114 . VAL . 27202 1 115 . PHE . 27202 1 116 . GLY . 27202 1 117 . LEU . 27202 1 118 . GLY . 27202 1 119 . ASN . 27202 1 120 . LYS . 27202 1 121 . THR . 27202 1 122 . TYR . 27202 1 123 . GLU . 27202 1 124 . HIS . 27202 1 125 . PHE . 27202 1 126 . ASN . 27202 1 127 . ALA . 27202 1 128 . MET . 27202 1 129 . GLY . 27202 1 130 . LYS . 27202 1 131 . TYR . 27202 1 132 . VAL . 27202 1 133 . ASP . 27202 1 134 . GLN . 27202 1 135 . ARG . 27202 1 136 . LEU . 27202 1 137 . GLU . 27202 1 138 . GLN . 27202 1 139 . LEU . 27202 1 140 . GLY . 27202 1 141 . ALA . 27202 1 142 . GLN . 27202 1 143 . ARG . 27202 1 144 . ILE . 27202 1 145 . PHE . 27202 1 146 . GLU . 27202 1 147 . LEU . 27202 1 148 . GLY . 27202 1 149 . LEU . 27202 1 150 . GLY . 27202 1 151 . ASP . 27202 1 152 . ASP . 27202 1 153 . ASP . 27202 1 154 . GLY . 27202 1 155 . ASN . 27202 1 156 . LEU . 27202 1 157 . GLU . 27202 1 158 . GLU . 27202 1 159 . ASP . 27202 1 160 . PHE . 27202 1 161 . ILE . 27202 1 162 . THR . 27202 1 163 . TRP . 27202 1 164 . ARG . 27202 1 165 . GLU . 27202 1 166 . GLN . 27202 1 167 . PHE . 27202 1 168 . TRP . 27202 1 169 . PRO . 27202 1 170 . ALA . 27202 1 171 . VAL . 27202 1 172 . CYS . 27202 1 173 . GLU . 27202 1 174 . PHE . 27202 1 175 . PHE . 27202 1 176 . GLY . 27202 1 177 . VAL . 27202 1 178 . GLU . 27202 1 179 . ALA . 27202 1 180 . THR . 27202 1 181 . GLY . 27202 1 182 . GLU . 27202 1 183 . GLU . 27202 1 184 . SER . 27202 1 185 . SER . 27202 1 186 . ILE . 27202 1 187 . ARG . 27202 1 188 . GLN . 27202 1 189 . TYR . 27202 1 190 . GLU . 27202 1 191 . LEU . 27202 1 192 . VAL . 27202 1 193 . VAL . 27202 1 194 . HIS . 27202 1 195 . GLU . 27202 1 196 . ASP . 27202 1 197 . MET . 27202 1 198 . ASP . 27202 1 199 . VAL . 27202 1 200 . ALA . 27202 1 201 . LYS . 27202 1 202 . VAL . 27202 1 203 . TYR . 27202 1 204 . THR . 27202 1 205 . GLY . 27202 1 206 . GLU . 27202 1 207 . MET . 27202 1 208 . GLY . 27202 1 209 . ARG . 27202 1 210 . LEU . 27202 1 211 . LYS . 27202 1 212 . SER . 27202 1 213 . TYR . 27202 1 214 . GLU . 27202 1 215 . ASN . 27202 1 216 . GLN . 27202 1 217 . LYS . 27202 1 218 . PRO . 27202 1 219 . PRO . 27202 1 220 . PHE . 27202 1 221 . ASP . 27202 1 222 . ALA . 27202 1 223 . LYS . 27202 1 224 . ASN . 27202 1 225 . PRO . 27202 1 226 . PHE . 27202 1 227 . LEU . 27202 1 228 . ALA . 27202 1 229 . ALA . 27202 1 230 . VAL . 27202 1 231 . THR . 27202 1 232 . ALA . 27202 1 233 . ASN . 27202 1 234 . ARG . 27202 1 235 . LYS . 27202 1 236 . LEU . 27202 1 237 . ASN . 27202 1 238 . GLN . 27202 1 239 . GLY . 27202 1 240 . THR . 27202 1 241 . GLU . 27202 1 242 . ARG . 27202 1 243 . HIS . 27202 1 244 . LEU . 27202 1 245 . MET . 27202 1 246 . HIS . 27202 1 247 . LEU . 27202 1 248 . GLU . 27202 1 249 . LEU . 27202 1 250 . ASP . 27202 1 251 . ILE . 27202 1 252 . SER . 27202 1 253 . ASP . 27202 1 254 . SER . 27202 1 255 . LYS . 27202 1 256 . ILE . 27202 1 257 . ARG . 27202 1 258 . TYR . 27202 1 259 . GLU . 27202 1 260 . SER . 27202 1 261 . GLY . 27202 1 262 . ASP . 27202 1 263 . HIS . 27202 1 264 . VAL . 27202 1 265 . ALA . 27202 1 266 . VAL . 27202 1 267 . TYR . 27202 1 268 . PRO . 27202 1 269 . ALA . 27202 1 270 . ASN . 27202 1 271 . ASP . 27202 1 272 . SER . 27202 1 273 . ALA . 27202 1 274 . LEU . 27202 1 275 . VAL . 27202 1 276 . ASN . 27202 1 277 . GLN . 27202 1 278 . ILE . 27202 1 279 . GLY . 27202 1 280 . GLU . 27202 1 281 . ILE . 27202 1 282 . LEU . 27202 1 283 . GLY . 27202 1 284 . ALA . 27202 1 285 . ASP . 27202 1 286 . LEU . 27202 1 287 . ASP . 27202 1 288 . VAL . 27202 1 289 . ILE . 27202 1 290 . MET . 27202 1 291 . SER . 27202 1 292 . LEU . 27202 1 293 . ASN . 27202 1 294 . ASN . 27202 1 295 . LEU . 27202 1 296 . ASP . 27202 1 297 . GLU . 27202 1 298 . GLU . 27202 1 299 . SER . 27202 1 300 . ASN . 27202 1 301 . LYS . 27202 1 302 . LYS . 27202 1 303 . HIS . 27202 1 304 . PRO . 27202 1 305 . PHE . 27202 1 306 . PRO . 27202 1 307 . CYS . 27202 1 308 . PRO . 27202 1 309 . THR . 27202 1 310 . THR . 27202 1 311 . TYR . 27202 1 312 . ARG . 27202 1 313 . THR . 27202 1 314 . ALA . 27202 1 315 . LEU . 27202 1 316 . THR . 27202 1 317 . TYR . 27202 1 318 . TYR . 27202 1 319 . LEU . 27202 1 320 . ASP . 27202 1 321 . ILE . 27202 1 322 . THR . 27202 1 323 . ASN . 27202 1 324 . PRO . 27202 1 325 . PRO . 27202 1 326 . ARG . 27202 1 327 . THR . 27202 1 328 . ASN . 27202 1 329 . VAL . 27202 1 330 . LEU . 27202 1 331 . TYR . 27202 1 332 . GLU . 27202 1 333 . LEU . 27202 1 334 . ALA . 27202 1 335 . GLN . 27202 1 336 . TYR . 27202 1 337 . ALA . 27202 1 338 . SER . 27202 1 339 . GLU . 27202 1 340 . PRO . 27202 1 341 . SER . 27202 1 342 . GLU . 27202 1 343 . GLN . 27202 1 344 . GLU . 27202 1 345 . HIS . 27202 1 346 . LEU . 27202 1 347 . HIS . 27202 1 348 . LYS . 27202 1 349 . MET . 27202 1 350 . ALA . 27202 1 351 . SER . 27202 1 352 . SER . 27202 1 353 . SER . 27202 1 354 . GLY . 27202 1 355 . GLU . 27202 1 356 . GLY . 27202 1 357 . LYS . 27202 1 358 . GLU . 27202 1 359 . LEU . 27202 1 360 . TYR . 27202 1 361 . LEU . 27202 1 362 . SER . 27202 1 363 . TRP . 27202 1 364 . VAL . 27202 1 365 . VAL . 27202 1 366 . GLU . 27202 1 367 . ALA . 27202 1 368 . ARG . 27202 1 369 . ARG . 27202 1 370 . HIS . 27202 1 371 . ILE . 27202 1 372 . LEU . 27202 1 373 . ALA . 27202 1 374 . ILE . 27202 1 375 . LEU . 27202 1 376 . GLN . 27202 1 377 . ASP . 27202 1 378 . TYR . 27202 1 379 . PRO . 27202 1 380 . SER . 27202 1 381 . LEU . 27202 1 382 . ARG . 27202 1 383 . PRO . 27202 1 384 . PRO . 27202 1 385 . ILE . 27202 1 386 . ASP . 27202 1 387 . HIS . 27202 1 388 . LEU . 27202 1 389 . CYS . 27202 1 390 . GLU . 27202 1 391 . LEU . 27202 1 392 . LEU . 27202 1 393 . PRO . 27202 1 394 . ARG . 27202 1 395 . LEU . 27202 1 396 . GLN . 27202 1 397 . ALA . 27202 1 398 . ARG . 27202 1 399 . TYR . 27202 1 400 . TYR . 27202 1 401 . SER . 27202 1 402 . ILE . 27202 1 403 . ALA . 27202 1 404 . SER . 27202 1 405 . SER . 27202 1 406 . SER . 27202 1 407 . LYS . 27202 1 408 . VAL . 27202 1 409 . HIS . 27202 1 410 . PRO . 27202 1 411 . ASN . 27202 1 412 . SER . 27202 1 413 . VAL . 27202 1 414 . HIS . 27202 1 415 . ILE . 27202 1 416 . CYS . 27202 1 417 . ALA . 27202 1 418 . VAL . 27202 1 419 . ALA . 27202 1 420 . VAL . 27202 1 421 . GLU . 27202 1 422 . TYR . 27202 1 423 . GLU . 27202 1 424 . ALA . 27202 1 425 . LYS . 27202 1 426 . SER . 27202 1 427 . GLY . 27202 1 428 . ARG . 27202 1 429 . VAL . 27202 1 430 . ASN . 27202 1 431 . LYS . 27202 1 432 . GLY . 27202 1 433 . VAL . 27202 1 434 . ALA . 27202 1 435 . THR . 27202 1 436 . SER . 27202 1 437 . TRP . 27202 1 438 . LEU . 27202 1 439 . ARG . 27202 1 440 . ALA . 27202 1 441 . LYS . 27202 1 442 . GLU . 27202 1 443 . PRO . 27202 1 444 . ALA . 27202 1 445 . GLY . 27202 1 446 . GLU . 27202 1 447 . ASN . 27202 1 448 . GLY . 27202 1 449 . GLY . 27202 1 450 . ARG . 27202 1 451 . ALA . 27202 1 452 . LEU . 27202 1 453 . VAL . 27202 1 454 . PRO . 27202 1 455 . MET . 27202 1 456 . PHE . 27202 1 457 . VAL . 27202 1 458 . ARG . 27202 1 459 . LYS . 27202 1 460 . SER . 27202 1 461 . GLN . 27202 1 462 . PHE . 27202 1 463 . ARG . 27202 1 464 . LEU . 27202 1 465 . PRO . 27202 1 466 . PHE . 27202 1 467 . LYS . 27202 1 468 . SER . 27202 1 469 . THR . 27202 1 470 . THR . 27202 1 471 . PRO . 27202 1 472 . VAL . 27202 1 473 . ILE . 27202 1 474 . MET . 27202 1 475 . VAL . 27202 1 476 . GLY . 27202 1 477 . PRO . 27202 1 478 . GLY . 27202 1 479 . THR . 27202 1 480 . GLY . 27202 1 481 . ILE . 27202 1 482 . ALA . 27202 1 483 . PRO . 27202 1 484 . PHE . 27202 1 485 . MET . 27202 1 486 . GLY . 27202 1 487 . PHE . 27202 1 488 . ILE . 27202 1 489 . GLN . 27202 1 490 . GLU . 27202 1 491 . ARG . 27202 1 492 . ALA . 27202 1 493 . TRP . 27202 1 494 . LEU . 27202 1 495 . ARG . 27202 1 496 . GLU . 27202 1 497 . GLN . 27202 1 498 . GLY . 27202 1 499 . LYS . 27202 1 500 . GLU . 27202 1 501 . VAL . 27202 1 502 . GLY . 27202 1 503 . GLU . 27202 1 504 . THR . 27202 1 505 . LEU . 27202 1 506 . LEU . 27202 1 507 . TYR . 27202 1 508 . TYR . 27202 1 509 . GLY . 27202 1 510 . CYS . 27202 1 511 . ARG . 27202 1 512 . ARG . 27202 1 513 . SER . 27202 1 514 . ASP . 27202 1 515 . GLU . 27202 1 516 . ASP . 27202 1 517 . TYR . 27202 1 518 . LEU . 27202 1 519 . TYR . 27202 1 520 . ARG . 27202 1 521 . GLU . 27202 1 522 . GLU . 27202 1 523 . LEU . 27202 1 524 . ALA . 27202 1 525 . ARG . 27202 1 526 . PHE . 27202 1 527 . HIS . 27202 1 528 . LYS . 27202 1 529 . ASP . 27202 1 530 . GLY . 27202 1 531 . ALA . 27202 1 532 . LEU . 27202 1 533 . THR . 27202 1 534 . GLN . 27202 1 535 . LEU . 27202 1 536 . ASN . 27202 1 537 . VAL . 27202 1 538 . ALA . 27202 1 539 . PHE . 27202 1 540 . SER . 27202 1 541 . ARG . 27202 1 542 . GLU . 27202 1 543 . GLN . 27202 1 544 . ALA . 27202 1 545 . HIS . 27202 1 546 . LYS . 27202 1 547 . VAL . 27202 1 548 . TYR . 27202 1 549 . VAL . 27202 1 550 . GLN . 27202 1 551 . HIS . 27202 1 552 . LEU . 27202 1 553 . LEU . 27202 1 554 . LYS . 27202 1 555 . ARG . 27202 1 556 . ASP . 27202 1 557 . ARG . 27202 1 558 . GLU . 27202 1 559 . HIS . 27202 1 560 . LEU . 27202 1 561 . TRP . 27202 1 562 . LYS . 27202 1 563 . LEU . 27202 1 564 . ILE . 27202 1 565 . HIS . 27202 1 566 . GLU . 27202 1 567 . GLY . 27202 1 568 . GLY . 27202 1 569 . ALA . 27202 1 570 . HIS . 27202 1 571 . ILE . 27202 1 572 . TYR . 27202 1 573 . VAL . 27202 1 574 . CYS . 27202 1 575 . GLY . 27202 1 576 . ASP . 27202 1 577 . ALA . 27202 1 578 . ARG . 27202 1 579 . ASN . 27202 1 580 . MET . 27202 1 581 . ALA . 27202 1 582 . LYS . 27202 1 583 . ASP . 27202 1 584 . VAL . 27202 1 585 . GLN . 27202 1 586 . ASN . 27202 1 587 . THR . 27202 1 588 . PHE . 27202 1 589 . TYR . 27202 1 590 . ASP . 27202 1 591 . ILE . 27202 1 592 . VAL . 27202 1 593 . ALA . 27202 1 594 . GLU . 27202 1 595 . PHE . 27202 1 596 . GLY . 27202 1 597 . PRO . 27202 1 598 . MET . 27202 1 599 . GLU . 27202 1 600 . HIS . 27202 1 601 . THR . 27202 1 602 . GLN . 27202 1 603 . ALA . 27202 1 604 . VAL . 27202 1 605 . ASP . 27202 1 606 . TYR . 27202 1 607 . VAL . 27202 1 608 . LYS . 27202 1 609 . LYS . 27202 1 610 . LEU . 27202 1 611 . MET . 27202 1 612 . THR . 27202 1 613 . LYS . 27202 1 614 . GLY . 27202 1 615 . ARG . 27202 1 616 . TYR . 27202 1 617 . SER . 27202 1 618 . LEU . 27202 1 619 . ASP . 27202 1 620 . VAL . 27202 1 621 . TRP . 27202 1 622 . SER . 27202 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 . ILE 1 1 27202 1 . GLN 2 2 27202 1 . THR 3 3 27202 1 . THR 4 4 27202 1 . ALA 5 5 27202 1 . PRO 6 6 27202 1 . PRO 7 7 27202 1 . VAL 8 8 27202 1 . LYS 9 9 27202 1 . GLU 10 10 27202 1 . SER 11 11 27202 1 . SER 12 12 27202 1 . PHE 13 13 27202 1 . VAL 14 14 27202 1 . GLU 15 15 27202 1 . LYS 16 16 27202 1 . MET 17 17 27202 1 . LYS 18 18 27202 1 . LYS 19 19 27202 1 . THR 20 20 27202 1 . GLY 21 21 27202 1 . ARG 22 22 27202 1 . ASN 23 23 27202 1 . ILE 24 24 27202 1 . ILE 25 25 27202 1 . VAL 26 26 27202 1 . PHE 27 27 27202 1 . TYR 28 28 27202 1 . GLY 29 29 27202 1 . SER 30 30 27202 1 . GLN 31 31 27202 1 . THR 32 32 27202 1 . GLY 33 33 27202 1 . THR 34 34 27202 1 . ALA 35 35 27202 1 . GLU 36 36 27202 1 . GLU 37 37 27202 1 . PHE 38 38 27202 1 . ALA 39 39 27202 1 . ASN 40 40 27202 1 . ARG 41 41 27202 1 . LEU 42 42 27202 1 . SER 43 43 27202 1 . LYS 44 44 27202 1 . ASP 45 45 27202 1 . ALA 46 46 27202 1 . HIS 47 47 27202 1 . ARG 48 48 27202 1 . TYR 49 49 27202 1 . GLY 50 50 27202 1 . MET 51 51 27202 1 . ARG 52 52 27202 1 . GLY 53 53 27202 1 . MET 54 54 27202 1 . SER 55 55 27202 1 . ALA 56 56 27202 1 . ASP 57 57 27202 1 . PRO 58 58 27202 1 . GLU 59 59 27202 1 . GLU 60 60 27202 1 . TYR 61 61 27202 1 . ASP 62 62 27202 1 . LEU 63 63 27202 1 . ALA 64 64 27202 1 . ASP 65 65 27202 1 . LEU 66 66 27202 1 . SER 67 67 27202 1 . SER 68 68 27202 1 . LEU 69 69 27202 1 . PRO 70 70 27202 1 . GLU 71 71 27202 1 . ILE 72 72 27202 1 . ASP 73 73 27202 1 . LYS 74 74 27202 1 . SER 75 75 27202 1 . LEU 76 76 27202 1 . VAL 77 77 27202 1 . VAL 78 78 27202 1 . PHE 79 79 27202 1 . CYS 80 80 27202 1 . MET 81 81 27202 1 . ALA 82 82 27202 1 . THR 83 83 27202 1 . TYR 84 84 27202 1 . GLY 85 85 27202 1 . GLU 86 86 27202 1 . GLY 87 87 27202 1 . ASP 88 88 27202 1 . PRO 89 89 27202 1 . THR 90 90 27202 1 . ASP 91 91 27202 1 . ASN 92 92 27202 1 . ALA 93 93 27202 1 . GLN 94 94 27202 1 . ASP 95 95 27202 1 . PHE 96 96 27202 1 . TYR 97 97 27202 1 . ASP 98 98 27202 1 . TRP 99 99 27202 1 . LEU 100 100 27202 1 . GLN 101 101 27202 1 . GLU 102 102 27202 1 . THR 103 103 27202 1 . ASP 104 104 27202 1 . VAL 105 105 27202 1 . ASP 106 106 27202 1 . LEU 107 107 27202 1 . THR 108 108 27202 1 . GLY 109 109 27202 1 . VAL 110 110 27202 1 . LYS 111 111 27202 1 . PHE 112 112 27202 1 . ALA 113 113 27202 1 . VAL 114 114 27202 1 . PHE 115 115 27202 1 . GLY 116 116 27202 1 . LEU 117 117 27202 1 . GLY 118 118 27202 1 . ASN 119 119 27202 1 . LYS 120 120 27202 1 . THR 121 121 27202 1 . TYR 122 122 27202 1 . GLU 123 123 27202 1 . HIS 124 124 27202 1 . PHE 125 125 27202 1 . ASN 126 126 27202 1 . ALA 127 127 27202 1 . MET 128 128 27202 1 . GLY 129 129 27202 1 . LYS 130 130 27202 1 . TYR 131 131 27202 1 . VAL 132 132 27202 1 . ASP 133 133 27202 1 . GLN 134 134 27202 1 . ARG 135 135 27202 1 . LEU 136 136 27202 1 . GLU 137 137 27202 1 . GLN 138 138 27202 1 . LEU 139 139 27202 1 . GLY 140 140 27202 1 . ALA 141 141 27202 1 . GLN 142 142 27202 1 . ARG 143 143 27202 1 . ILE 144 144 27202 1 . PHE 145 145 27202 1 . GLU 146 146 27202 1 . LEU 147 147 27202 1 . GLY 148 148 27202 1 . LEU 149 149 27202 1 . GLY 150 150 27202 1 . ASP 151 151 27202 1 . ASP 152 152 27202 1 . ASP 153 153 27202 1 . GLY 154 154 27202 1 . ASN 155 155 27202 1 . LEU 156 156 27202 1 . GLU 157 157 27202 1 . GLU 158 158 27202 1 . ASP 159 159 27202 1 . PHE 160 160 27202 1 . ILE 161 161 27202 1 . THR 162 162 27202 1 . TRP 163 163 27202 1 . ARG 164 164 27202 1 . GLU 165 165 27202 1 . GLN 166 166 27202 1 . PHE 167 167 27202 1 . TRP 168 168 27202 1 . PRO 169 169 27202 1 . ALA 170 170 27202 1 . VAL 171 171 27202 1 . CYS 172 172 27202 1 . GLU 173 173 27202 1 . PHE 174 174 27202 1 . PHE 175 175 27202 1 . GLY 176 176 27202 1 . VAL 177 177 27202 1 . GLU 178 178 27202 1 . ALA 179 179 27202 1 . THR 180 180 27202 1 . GLY 181 181 27202 1 . GLU 182 182 27202 1 . GLU 183 183 27202 1 . SER 184 184 27202 1 . SER 185 185 27202 1 . ILE 186 186 27202 1 . ARG 187 187 27202 1 . GLN 188 188 27202 1 . TYR 189 189 27202 1 . GLU 190 190 27202 1 . LEU 191 191 27202 1 . VAL 192 192 27202 1 . VAL 193 193 27202 1 . HIS 194 194 27202 1 . GLU 195 195 27202 1 . ASP 196 196 27202 1 . MET 197 197 27202 1 . ASP 198 198 27202 1 . VAL 199 199 27202 1 . ALA 200 200 27202 1 . LYS 201 201 27202 1 . VAL 202 202 27202 1 . TYR 203 203 27202 1 . THR 204 204 27202 1 . GLY 205 205 27202 1 . GLU 206 206 27202 1 . MET 207 207 27202 1 . GLY 208 208 27202 1 . ARG 209 209 27202 1 . LEU 210 210 27202 1 . LYS 211 211 27202 1 . SER 212 212 27202 1 . TYR 213 213 27202 1 . GLU 214 214 27202 1 . ASN 215 215 27202 1 . GLN 216 216 27202 1 . LYS 217 217 27202 1 . PRO 218 218 27202 1 . PRO 219 219 27202 1 . PHE 220 220 27202 1 . ASP 221 221 27202 1 . ALA 222 222 27202 1 . LYS 223 223 27202 1 . ASN 224 224 27202 1 . PRO 225 225 27202 1 . PHE 226 226 27202 1 . LEU 227 227 27202 1 . ALA 228 228 27202 1 . ALA 229 229 27202 1 . VAL 230 230 27202 1 . THR 231 231 27202 1 . ALA 232 232 27202 1 . ASN 233 233 27202 1 . ARG 234 234 27202 1 . LYS 235 235 27202 1 . LEU 236 236 27202 1 . ASN 237 237 27202 1 . GLN 238 238 27202 1 . GLY 239 239 27202 1 . THR 240 240 27202 1 . GLU 241 241 27202 1 . ARG 242 242 27202 1 . HIS 243 243 27202 1 . LEU 244 244 27202 1 . MET 245 245 27202 1 . HIS 246 246 27202 1 . LEU 247 247 27202 1 . GLU 248 248 27202 1 . LEU 249 249 27202 1 . ASP 250 250 27202 1 . ILE 251 251 27202 1 . SER 252 252 27202 1 . ASP 253 253 27202 1 . SER 254 254 27202 1 . LYS 255 255 27202 1 . ILE 256 256 27202 1 . ARG 257 257 27202 1 . TYR 258 258 27202 1 . GLU 259 259 27202 1 . SER 260 260 27202 1 . GLY 261 261 27202 1 . ASP 262 262 27202 1 . HIS 263 263 27202 1 . VAL 264 264 27202 1 . ALA 265 265 27202 1 . VAL 266 266 27202 1 . TYR 267 267 27202 1 . PRO 268 268 27202 1 . ALA 269 269 27202 1 . ASN 270 270 27202 1 . ASP 271 271 27202 1 . SER 272 272 27202 1 . ALA 273 273 27202 1 . LEU 274 274 27202 1 . VAL 275 275 27202 1 . ASN 276 276 27202 1 . GLN 277 277 27202 1 . ILE 278 278 27202 1 . GLY 279 279 27202 1 . GLU 280 280 27202 1 . ILE 281 281 27202 1 . LEU 282 282 27202 1 . GLY 283 283 27202 1 . ALA 284 284 27202 1 . ASP 285 285 27202 1 . LEU 286 286 27202 1 . ASP 287 287 27202 1 . VAL 288 288 27202 1 . ILE 289 289 27202 1 . MET 290 290 27202 1 . SER 291 291 27202 1 . LEU 292 292 27202 1 . ASN 293 293 27202 1 . ASN 294 294 27202 1 . LEU 295 295 27202 1 . ASP 296 296 27202 1 . GLU 297 297 27202 1 . GLU 298 298 27202 1 . SER 299 299 27202 1 . ASN 300 300 27202 1 . LYS 301 301 27202 1 . LYS 302 302 27202 1 . HIS 303 303 27202 1 . PRO 304 304 27202 1 . PHE 305 305 27202 1 . PRO 306 306 27202 1 . CYS 307 307 27202 1 . PRO 308 308 27202 1 . THR 309 309 27202 1 . THR 310 310 27202 1 . TYR 311 311 27202 1 . ARG 312 312 27202 1 . THR 313 313 27202 1 . ALA 314 314 27202 1 . LEU 315 315 27202 1 . THR 316 316 27202 1 . TYR 317 317 27202 1 . TYR 318 318 27202 1 . LEU 319 319 27202 1 . ASP 320 320 27202 1 . ILE 321 321 27202 1 . THR 322 322 27202 1 . ASN 323 323 27202 1 . PRO 324 324 27202 1 . PRO 325 325 27202 1 . ARG 326 326 27202 1 . THR 327 327 27202 1 . ASN 328 328 27202 1 . VAL 329 329 27202 1 . LEU 330 330 27202 1 . TYR 331 331 27202 1 . GLU 332 332 27202 1 . LEU 333 333 27202 1 . ALA 334 334 27202 1 . GLN 335 335 27202 1 . TYR 336 336 27202 1 . ALA 337 337 27202 1 . SER 338 338 27202 1 . GLU 339 339 27202 1 . PRO 340 340 27202 1 . SER 341 341 27202 1 . GLU 342 342 27202 1 . GLN 343 343 27202 1 . GLU 344 344 27202 1 . HIS 345 345 27202 1 . LEU 346 346 27202 1 . HIS 347 347 27202 1 . LYS 348 348 27202 1 . MET 349 349 27202 1 . ALA 350 350 27202 1 . SER 351 351 27202 1 . SER 352 352 27202 1 . SER 353 353 27202 1 . GLY 354 354 27202 1 . GLU 355 355 27202 1 . GLY 356 356 27202 1 . LYS 357 357 27202 1 . GLU 358 358 27202 1 . LEU 359 359 27202 1 . TYR 360 360 27202 1 . LEU 361 361 27202 1 . SER 362 362 27202 1 . TRP 363 363 27202 1 . VAL 364 364 27202 1 . VAL 365 365 27202 1 . GLU 366 366 27202 1 . ALA 367 367 27202 1 . ARG 368 368 27202 1 . ARG 369 369 27202 1 . HIS 370 370 27202 1 . ILE 371 371 27202 1 . LEU 372 372 27202 1 . ALA 373 373 27202 1 . ILE 374 374 27202 1 . LEU 375 375 27202 1 . GLN 376 376 27202 1 . ASP 377 377 27202 1 . TYR 378 378 27202 1 . PRO 379 379 27202 1 . SER 380 380 27202 1 . LEU 381 381 27202 1 . ARG 382 382 27202 1 . PRO 383 383 27202 1 . PRO 384 384 27202 1 . ILE 385 385 27202 1 . ASP 386 386 27202 1 . HIS 387 387 27202 1 . LEU 388 388 27202 1 . CYS 389 389 27202 1 . GLU 390 390 27202 1 . LEU 391 391 27202 1 . LEU 392 392 27202 1 . PRO 393 393 27202 1 . ARG 394 394 27202 1 . LEU 395 395 27202 1 . GLN 396 396 27202 1 . ALA 397 397 27202 1 . ARG 398 398 27202 1 . TYR 399 399 27202 1 . TYR 400 400 27202 1 . SER 401 401 27202 1 . ILE 402 402 27202 1 . ALA 403 403 27202 1 . SER 404 404 27202 1 . SER 405 405 27202 1 . SER 406 406 27202 1 . LYS 407 407 27202 1 . VAL 408 408 27202 1 . HIS 409 409 27202 1 . PRO 410 410 27202 1 . ASN 411 411 27202 1 . SER 412 412 27202 1 . VAL 413 413 27202 1 . HIS 414 414 27202 1 . ILE 415 415 27202 1 . CYS 416 416 27202 1 . ALA 417 417 27202 1 . VAL 418 418 27202 1 . ALA 419 419 27202 1 . VAL 420 420 27202 1 . GLU 421 421 27202 1 . TYR 422 422 27202 1 . GLU 423 423 27202 1 . ALA 424 424 27202 1 . LYS 425 425 27202 1 . SER 426 426 27202 1 . GLY 427 427 27202 1 . ARG 428 428 27202 1 . VAL 429 429 27202 1 . ASN 430 430 27202 1 . LYS 431 431 27202 1 . GLY 432 432 27202 1 . VAL 433 433 27202 1 . ALA 434 434 27202 1 . THR 435 435 27202 1 . SER 436 436 27202 1 . TRP 437 437 27202 1 . LEU 438 438 27202 1 . ARG 439 439 27202 1 . ALA 440 440 27202 1 . LYS 441 441 27202 1 . GLU 442 442 27202 1 . PRO 443 443 27202 1 . ALA 444 444 27202 1 . GLY 445 445 27202 1 . GLU 446 446 27202 1 . ASN 447 447 27202 1 . GLY 448 448 27202 1 . GLY 449 449 27202 1 . ARG 450 450 27202 1 . ALA 451 451 27202 1 . LEU 452 452 27202 1 . VAL 453 453 27202 1 . PRO 454 454 27202 1 . MET 455 455 27202 1 . PHE 456 456 27202 1 . VAL 457 457 27202 1 . ARG 458 458 27202 1 . LYS 459 459 27202 1 . SER 460 460 27202 1 . GLN 461 461 27202 1 . PHE 462 462 27202 1 . ARG 463 463 27202 1 . LEU 464 464 27202 1 . PRO 465 465 27202 1 . PHE 466 466 27202 1 . LYS 467 467 27202 1 . SER 468 468 27202 1 . THR 469 469 27202 1 . THR 470 470 27202 1 . PRO 471 471 27202 1 . VAL 472 472 27202 1 . ILE 473 473 27202 1 . MET 474 474 27202 1 . VAL 475 475 27202 1 . GLY 476 476 27202 1 . PRO 477 477 27202 1 . GLY 478 478 27202 1 . THR 479 479 27202 1 . GLY 480 480 27202 1 . ILE 481 481 27202 1 . ALA 482 482 27202 1 . PRO 483 483 27202 1 . PHE 484 484 27202 1 . MET 485 485 27202 1 . GLY 486 486 27202 1 . PHE 487 487 27202 1 . ILE 488 488 27202 1 . GLN 489 489 27202 1 . GLU 490 490 27202 1 . ARG 491 491 27202 1 . ALA 492 492 27202 1 . TRP 493 493 27202 1 . LEU 494 494 27202 1 . ARG 495 495 27202 1 . GLU 496 496 27202 1 . GLN 497 497 27202 1 . GLY 498 498 27202 1 . LYS 499 499 27202 1 . GLU 500 500 27202 1 . VAL 501 501 27202 1 . GLY 502 502 27202 1 . GLU 503 503 27202 1 . THR 504 504 27202 1 . LEU 505 505 27202 1 . LEU 506 506 27202 1 . TYR 507 507 27202 1 . TYR 508 508 27202 1 . GLY 509 509 27202 1 . CYS 510 510 27202 1 . ARG 511 511 27202 1 . ARG 512 512 27202 1 . SER 513 513 27202 1 . ASP 514 514 27202 1 . GLU 515 515 27202 1 . ASP 516 516 27202 1 . TYR 517 517 27202 1 . LEU 518 518 27202 1 . TYR 519 519 27202 1 . ARG 520 520 27202 1 . GLU 521 521 27202 1 . GLU 522 522 27202 1 . LEU 523 523 27202 1 . ALA 524 524 27202 1 . ARG 525 525 27202 1 . PHE 526 526 27202 1 . HIS 527 527 27202 1 . LYS 528 528 27202 1 . ASP 529 529 27202 1 . GLY 530 530 27202 1 . ALA 531 531 27202 1 . LEU 532 532 27202 1 . THR 533 533 27202 1 . GLN 534 534 27202 1 . LEU 535 535 27202 1 . ASN 536 536 27202 1 . VAL 537 537 27202 1 . ALA 538 538 27202 1 . PHE 539 539 27202 1 . SER 540 540 27202 1 . ARG 541 541 27202 1 . GLU 542 542 27202 1 . GLN 543 543 27202 1 . ALA 544 544 27202 1 . HIS 545 545 27202 1 . LYS 546 546 27202 1 . VAL 547 547 27202 1 . TYR 548 548 27202 1 . VAL 549 549 27202 1 . GLN 550 550 27202 1 . HIS 551 551 27202 1 . LEU 552 552 27202 1 . LEU 553 553 27202 1 . LYS 554 554 27202 1 . ARG 555 555 27202 1 . ASP 556 556 27202 1 . ARG 557 557 27202 1 . GLU 558 558 27202 1 . HIS 559 559 27202 1 . LEU 560 560 27202 1 . TRP 561 561 27202 1 . LYS 562 562 27202 1 . LEU 563 563 27202 1 . ILE 564 564 27202 1 . HIS 565 565 27202 1 . GLU 566 566 27202 1 . GLY 567 567 27202 1 . GLY 568 568 27202 1 . ALA 569 569 27202 1 . HIS 570 570 27202 1 . ILE 571 571 27202 1 . TYR 572 572 27202 1 . VAL 573 573 27202 1 . CYS 574 574 27202 1 . GLY 575 575 27202 1 . ASP 576 576 27202 1 . ALA 577 577 27202 1 . ARG 578 578 27202 1 . ASN 579 579 27202 1 . MET 580 580 27202 1 . ALA 581 581 27202 1 . LYS 582 582 27202 1 . ASP 583 583 27202 1 . VAL 584 584 27202 1 . GLN 585 585 27202 1 . ASN 586 586 27202 1 . THR 587 587 27202 1 . PHE 588 588 27202 1 . TYR 589 589 27202 1 . ASP 590 590 27202 1 . ILE 591 591 27202 1 . VAL 592 592 27202 1 . ALA 593 593 27202 1 . GLU 594 594 27202 1 . PHE 595 595 27202 1 . GLY 596 596 27202 1 . PRO 597 597 27202 1 . MET 598 598 27202 1 . GLU 599 599 27202 1 . HIS 600 600 27202 1 . THR 601 601 27202 1 . GLN 602 602 27202 1 . ALA 603 603 27202 1 . VAL 604 604 27202 1 . ASP 605 605 27202 1 . TYR 606 606 27202 1 . VAL 607 607 27202 1 . LYS 608 608 27202 1 . LYS 609 609 27202 1 . LEU 610 610 27202 1 . MET 611 611 27202 1 . THR 612 612 27202 1 . LYS 613 613 27202 1 . GLY 614 614 27202 1 . ARG 615 615 27202 1 . TYR 616 616 27202 1 . SER 617 617 27202 1 . LEU 618 618 27202 1 . ASP 619 619 27202 1 . VAL 620 620 27202 1 . TRP 621 621 27202 1 . SER 622 622 27202 1 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 27202 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $oxidoreductase . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . 27202 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 27202 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $oxidoreductase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pOR263 . . . 27202 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27202 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NADPH cytochrome P450 oxidoreductase' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 oxidoreductase . . . 1 $oxidoreductase . . . . . mM . . . . 27202 1 2 'sodium phosphate' 'natural abundance' . . . . . . 1 . . mM . . . . 27202 1 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 27202 1 4 'sodium chloride' 'natural abundance' . . . . . . 137 . . mM . . . . 27202 1 5 'potassium chloride' 'natural abundance' . . . . . . 2.7 . . mM . . . . 27202 1 stop_ save_ ####################### # Sample conditions # ####################### save_methylthiocysteine _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode methylthiocysteine _Sample_condition_list.Entry_ID 27202 _Sample_condition_list.ID 1 _Sample_condition_list.Details '13C methyl group attached to surface exposed cysteine via disulfide bond' 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 'ionic strength' 100 . mM 27202 1 pH 7.4 . pH 27202 1 pressure 1 . atm 27202 1 temperature 293 . K 27202 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27202 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27202 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27202 1 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 27202 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Ignore INOVA; this was VNMR-S' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27202 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 27202 _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 INOVA . 600 'Ignore INOVA; this was VNMR-S' . . 27202 1 2 spectrometer_2 Bruker Avance . 600 . . . 27202 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 27202 _Experiment_list.ID 1 _Experiment_list.Details 'This was 2D 1H-13C HMQC experiment (not in the list). Therefore ignore HSQC label' 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 '2D 1H-13C HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $methylthiocysteine . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27202 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27202 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 na 'methyl carbon' . . . . ppm 0 na indirect 0.25144953 . . . . . 27202 1 H 1 water protons . . . . ppm 4.8 internal direct 1.0 . . . . . 27202 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27202 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $methylthiocysteine _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'There is a peak for 308 PRO H at 2.490.' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 27202 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 127 127 ALA H H 1 2.409 . . . . . . . . 127 MTC H . 27202 1 2 . 1 1 127 127 ALA C C 13 25.276 . . . . . . . . 127 MTC C . 27202 1 3 . 1 1 157 157 GLU H H 1 2.138 . . . . . . . . 157 MTC H . 27202 1 4 . 1 1 157 157 GLU C C 13 23.687 . . . . . . . . 157 MTC C . 27202 1 5 . 1 1 308 308 PRO C C 13 24.246 . . . . . . . . 308 MTC C . 27202 1 6 . 1 1 517 517 TYR H H 1 2.537 . . . . . . . . 517 MTC H . 27202 1 7 . 1 1 517 517 TYR C C 13 24.809 . . . . . . . . 517 MTC C . 27202 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 27202 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $methylthiocysteine _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-13C HMQC' . . . 27202 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 157 157 GLU H H 1 2.156 . . . . . . . . 157 MTC H . 27202 2 2 . 1 1 157 157 GLU C C 13 23.711 . . . . . . . . 157 MTC C . 27202 2 3 . 1 1 517 517 TYR H H 1 2.532 . . . . . . . . 517 MTC H . 27202 2 4 . 1 1 517 517 TYR C C 13 25.023 . . . . . . . . 517 MTC C . 27202 2 stop_ save_