data_11453 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shifts assignment of UHRF1 atypical PHD finger ; _BMRB_accession_number 11453 _BMRB_flat_file_name bmr11453.str _Entry_type original _Submission_date 2011-09-22 _Accession_date 2011-09-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qian Chengmin . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 64 "13C chemical shifts" 122 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-14 original BMRB . stop_ _Original_release_date 2011-09-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; UHRF1 double tudor domain and the adjacent PHD finger act together to recognize K9me3-containing histone H3 tail ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22100450 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xie Si . . 2 Jakoncic Jean . . 3 Qian Chengmin . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 415 _Journal_issue 2 _Journal_ISSN 1089-8638 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 318 _Page_last 328 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'UHRF1 atypical PHD finger' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PHD finger' $PHD_finger stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PHD_finger _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PHD_finger _Molecular_mass . _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; GSPEFGPSCKHCKDDVNRLC RVCACHLCGGRQDPDKQLMC DECDMAFHIYCLDPPLSSVP SEDEWYCPECRNDA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 . GLY 2 . SER 3 . PRO 4 . GLU 5 297 PHE 6 298 GLY 7 299 PRO 8 300 SER 9 301 CYS 10 302 LYS 11 303 HIS 12 304 CYS 13 305 LYS 14 306 ASP 15 307 ASP 16 308 VAL 17 309 ASN 18 310 ARG 19 311 LEU 20 312 CYS 21 313 ARG 22 314 VAL 23 315 CYS 24 316 ALA 25 317 CYS 26 318 HIS 27 319 LEU 28 320 CYS 29 321 GLY 30 322 GLY 31 323 ARG 32 324 GLN 33 325 ASP 34 326 PRO 35 327 ASP 36 328 LYS 37 329 GLN 38 330 LEU 39 331 MET 40 332 CYS 41 333 ASP 42 334 GLU 43 335 CYS 44 336 ASP 45 337 MET 46 338 ALA 47 339 PHE 48 340 HIS 49 341 ILE 50 342 TYR 51 343 CYS 52 344 LEU 53 345 ASP 54 346 PRO 55 347 PRO 56 348 LEU 57 349 SER 58 350 SER 59 351 VAL 60 352 PRO 61 353 SER 62 354 GLU 63 355 ASP 64 356 GLU 65 357 TRP 66 358 TYR 67 359 CYS 68 360 PRO 69 361 GLU 70 362 CYS 71 363 ARG 72 364 ASN 73 365 ASP 74 366 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PHD_finger 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PHD_finger 'recombinant technology' 'E. coli' Escherichia coli . pGEX4T1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PHD_finger 0.3 mM '[U-13C; U-15N]' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.150 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 internal direct . . . 1 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal direct . . . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HN(CO)CACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'PHD finger' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 297 5 PHE H H 8.440 . 1 2 297 5 PHE CA C 57.113 . 1 3 297 5 PHE CB C 30.387 . 1 4 297 5 PHE N N 120.795 . 1 5 298 6 GLY H H 8.069 . 1 6 298 6 GLY CA C 57.515 . 1 7 298 6 GLY N N 119.753 . 1 8 299 7 PRO H2 H 8.101 . 1 9 299 7 PRO CA C 44.669 . 1 10 299 7 PRO N N 110.221 . 1 11 301 9 CYS H H 10.445 . 1 12 301 9 CYS CA C 60.803 . 1 13 301 9 CYS CB C 63.529 . 1 14 301 9 CYS N N 120.891 . 1 15 302 10 LYS H H 9.115 . 1 16 302 10 LYS CA C 58.277 . 1 17 302 10 LYS CB C 32.585 . 1 18 302 10 LYS N N 125.226 . 1 19 303 11 HIS H H 8.909 . 1 20 303 11 HIS CA C 58.106 . 1 21 303 11 HIS CB C 32.314 . 1 22 303 11 HIS N N 127.372 . 1 23 304 12 CYS H H 8.866 . 1 24 304 12 CYS CA C 59.351 . 1 25 304 12 CYS CB C 30.593 . 1 26 304 12 CYS N N 121.417 . 1 27 305 13 LYS H H 8.077 . 1 28 305 13 LYS CA C 58.134 . 1 29 305 13 LYS CB C 32.068 . 1 30 305 13 LYS N N 115.505 . 1 31 306 14 ASP H H 7.909 . 1 32 306 14 ASP CA C 57.880 . 1 33 306 14 ASP CB C 29.046 . 1 34 306 14 ASP N N 120.212 . 1 35 307 15 ASP H H 8.824 . 1 36 307 15 ASP CA C 54.695 . 1 37 307 15 ASP CB C 38.391 . 1 38 307 15 ASP N N 117.770 . 1 39 308 16 VAL H H 7.179 . 1 40 308 16 VAL CA C 53.846 . 1 41 308 16 VAL CB C 40.950 . 1 42 308 16 VAL N N 118.975 . 1 43 309 17 ASN H H 8.005 . 1 44 309 17 ASN CA C 63.850 . 1 45 309 17 ASN CB C 31.405 . 1 46 309 17 ASN N N 122.269 . 1 47 310 18 ARG H H 8.451 . 1 48 310 18 ARG CA C 54.165 . 1 49 310 18 ARG CB C 39.158 . 1 50 310 18 ARG N N 117.923 . 1 51 311 19 LEU H H 7.860 . 1 52 311 19 LEU CA C 54.564 . 1 53 311 19 LEU CB C 32.859 . 1 54 311 19 LEU N N 119.961 . 1 55 312 20 CYS H H 8.382 . 1 56 312 20 CYS CA C 54.912 . 1 57 312 20 CYS CB C 42.716 . 1 58 312 20 CYS N N 124.159 . 1 59 313 21 ARG H H 9.266 . 1 60 313 21 ARG CA C 60.637 . 1 61 313 21 ARG CB C 32.893 . 1 62 313 21 ARG N N 123.844 . 1 63 314 22 VAL H H 8.855 . 1 64 314 22 VAL CA C 56.485 . 1 65 314 22 VAL CB C 29.628 . 1 66 314 22 VAL N N 127.078 . 1 67 315 23 CYS H H 9.042 . 1 68 315 23 CYS CA C 65.771 . 1 69 315 23 CYS CB C 32.342 . 1 70 315 23 CYS N N 123.354 . 1 71 316 24 ALA H H 8.330 . 1 72 316 24 ALA CA C 58.426 . 1 73 316 24 ALA CB C 31.887 . 1 74 316 24 ALA N N 118.037 . 1 75 317 25 CYS H H 7.002 . 1 76 317 25 CYS CA C 50.488 . 1 77 317 25 CYS CB C 19.381 . 1 78 317 25 CYS N N 130.790 . 1 79 318 26 HIS H H 7.034 . 1 80 318 26 HIS CA C 60.485 . 1 81 318 26 HIS CB C 30.525 . 1 82 318 26 HIS N N 118.724 . 1 83 319 27 LEU H H 9.689 . 1 84 319 27 LEU CA C 56.304 . 1 85 319 27 LEU CB C 28.977 . 1 86 319 27 LEU N N 127.954 . 1 87 320 28 CYS H H 8.740 . 1 88 320 28 CYS CA C 56.110 . 1 89 320 28 CYS CB C 43.051 . 1 90 320 28 CYS N N 118.271 . 1 91 321 29 GLY H H 8.283 . 1 92 321 29 GLY CA C 59.058 . 1 93 321 29 GLY N N 118.613 . 1 94 322 30 GLY H H 8.557 . 1 95 322 30 GLY CA C 45.833 . 1 96 322 30 GLY N N 116.117 . 1 97 323 31 ARG H H 9.543 . 1 98 323 31 ARG CA C 45.129 . 1 99 323 31 ARG N N 111.567 . 1 100 324 32 GLN H H 8.754 . 1 101 324 32 GLN CA C 55.678 . 1 102 324 32 GLN CB C 31.354 . 1 103 324 32 GLN N N 118.924 . 1 104 325 33 ASP H H 9.535 . 1 105 325 33 ASP CA C 55.889 . 1 106 325 33 ASP CB C 28.088 . 1 107 325 33 ASP N N 121.201 . 1 108 326 34 PRO H2 H 9.673 . 1 109 326 34 PRO CA C 55.795 . 1 110 326 34 PRO CB C 41.181 . 1 111 326 34 PRO N N 118.190 . 1 112 328 36 LYS H H 9.186 . 1 113 328 36 LYS CA C 54.930 . 1 114 328 36 LYS CB C 39.097 . 1 115 328 36 LYS N N 115.004 . 1 116 329 37 GLN H H 8.099 . 1 117 329 37 GLN CA C 54.919 . 1 118 329 37 GLN CB C 34.231 . 1 119 329 37 GLN N N 117.259 . 1 120 330 38 LEU H H 7.089 . 1 121 330 38 LEU CA C 54.998 . 1 122 330 38 LEU CB C 29.179 . 1 123 330 38 LEU N N 120.226 . 1 124 331 39 MET H H 8.147 . 1 125 331 39 MET CA C 54.337 . 1 126 331 39 MET CB C 44.320 . 1 127 331 39 MET N N 125.424 . 1 128 332 40 CYS H H 7.944 . 1 129 332 40 CYS CA C 52.896 . 1 130 332 40 CYS CB C 32.902 . 1 131 332 40 CYS N N 119.586 . 1 132 333 41 ASP H H 9.036 . 1 133 333 41 ASP CA C 59.984 . 1 134 333 41 ASP CB C 32.637 . 1 135 333 41 ASP N N 124.718 . 1 136 334 42 GLU H H 9.125 . 1 137 334 42 GLU CA C 57.981 . 1 138 334 42 GLU CB C 41.035 . 1 139 334 42 GLU N N 129.460 . 1 140 335 43 CYS H H 9.612 . 1 141 335 43 CYS CA C 58.636 . 1 142 335 43 CYS CB C 30.517 . 1 143 335 43 CYS N N 124.543 . 1 144 336 44 ASP H H 8.518 . 1 145 336 44 ASP CA C 60.155 . 1 146 336 44 ASP CB C 32.492 . 1 147 336 44 ASP N N 119.444 . 1 148 337 45 MET H H 8.005 . 1 149 337 45 MET CA C 56.570 . 1 150 337 45 MET CB C 41.759 . 1 151 337 45 MET N N 120.740 . 1 152 338 46 ALA H H 8.151 . 1 153 338 46 ALA CA C 54.904 . 1 154 338 46 ALA CB C 34.781 . 1 155 338 46 ALA N N 117.074 . 1 156 339 47 PHE H H 8.451 . 1 157 339 47 PHE CA C 49.925 . 1 158 339 47 PHE CB C 22.476 . 1 159 339 47 PHE N N 123.145 . 1 160 340 48 HIS H H 9.157 . 1 161 340 48 HIS CA C 56.563 . 1 162 340 48 HIS CB C 43.017 . 1 163 340 48 HIS N N 116.464 . 1 164 341 49 ILE H H 9.397 . 1 165 341 49 ILE CA C 59.087 . 1 166 341 49 ILE CB C 31.270 . 1 167 341 49 ILE N N 124.460 . 1 168 342 50 TYR H H 8.519 . 1 169 342 50 TYR CA C 65.924 . 1 170 342 50 TYR CB C 36.280 . 1 171 342 50 TYR N N 115.199 . 1 172 343 51 CYS H H 6.065 . 1 173 343 51 CYS CA C 55.239 . 1 174 343 51 CYS CB C 36.862 . 1 175 343 51 CYS N N 110.920 . 1 176 344 52 LEU H H 7.579 . 1 177 344 52 LEU CA C 62.425 . 1 178 344 52 LEU CB C 31.192 . 1 179 344 52 LEU N N 121.713 . 1 180 345 53 ASP H H 6.365 . 1 181 345 53 ASP CA C 55.615 . 1 182 345 53 ASP CB C 44.165 . 1 183 345 53 ASP N N 119.322 . 1 184 346 54 PRO H2 H 8.070 . 1 185 346 54 PRO CB C 43.689 . 1 186 346 54 PRO N N 117.075 . 1 187 349 57 SER H H 7.785 . 1 188 349 57 SER CA C 53.491 . 1 189 349 57 SER CB C 44.023 . 1 190 349 57 SER N N 121.115 . 1 191 350 58 SER H H 8.850 . 1 192 350 58 SER CA C 59.564 . 1 193 350 58 SER CB C 64.001 . 1 194 350 58 SER N N 115.519 . 1 195 351 59 VAL H H 7.428 . 1 196 351 59 VAL CA C 56.756 . 1 197 351 59 VAL CB C 65.320 . 1 198 351 59 VAL N N 112.933 . 1 199 352 60 PRO H2 H 8.663 . 1 200 352 60 PRO CA C 61.806 . 1 201 352 60 PRO CB C 32.445 . 1 202 352 60 PRO N N 123.661 . 1 203 354 62 GLU H H 8.601 . 1 204 354 62 GLU CA C 59.263 . 1 205 354 62 GLU CB C 64.082 . 1 206 354 62 GLU N N 116.297 . 1 207 355 63 ASP H H 8.225 . 1 208 355 63 ASP CA C 58.033 . 1 209 355 63 ASP CB C 30.193 . 1 210 355 63 ASP N N 122.227 . 1 211 356 64 GLU H H 8.609 . 1 212 356 64 GLU CA C 57.779 . 1 213 356 64 GLU CB C 41.587 . 1 214 356 64 GLU N N 120.943 . 1 215 357 65 TRP H H 7.750 . 1 216 357 65 TRP CA C 54.428 . 1 217 357 65 TRP CB C 33.427 . 1 218 357 65 TRP N N 115.588 . 1 219 358 66 TYR H H 9.189 . 1 220 358 66 TYR CA C 59.719 . 1 221 358 66 TYR CB C 31.534 . 1 222 358 66 TYR N N 123.986 . 1 223 359 67 CYS H H 6.849 . 1 224 359 67 CYS CA C 55.036 . 1 225 359 67 CYS CB C 41.718 . 1 226 359 67 CYS N N 123.103 . 1 227 360 68 PRO H2 H 9.272 . 1 228 360 68 PRO CA C 57.572 . 1 229 360 68 PRO CB C 30.584 . 1 230 360 68 PRO N N 127.746 . 1 231 362 70 CYS H H 8.078 . 1 232 362 70 CYS CA C 58.819 . 1 233 362 70 CYS CB C 30.937 . 1 234 362 70 CYS N N 117.474 . 1 235 363 71 ARG H H 8.124 . 1 236 363 71 ARG CA C 63.051 . 1 237 363 71 ARG CB C 31.040 . 1 238 363 71 ARG N N 123.117 . 1 239 364 72 ASN H H 7.915 . 1 240 364 72 ASN CA C 56.844 . 1 241 364 72 ASN CB C 30.588 . 1 242 364 72 ASN N N 117.756 . 1 243 365 73 ASP H H 8.034 . 1 244 365 73 ASP CA C 53.631 . 1 245 365 73 ASP CB C 39.230 . 1 246 365 73 ASP N N 119.141 . 1 247 366 74 ALA H H 8.182 . 1 248 366 74 ALA CA C 54.359 . 1 249 366 74 ALA CB C 41.352 . 1 250 366 74 ALA N N 121.185 . 1 stop_ save_