data_27145 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, 15N assignments for the chromoshadow domain of S. pombe Swi6 ; _BMRB_accession_number 27145 _BMRB_flat_file_name bmr27145.str _Entry_type original _Submission_date 2017-06-17 _Accession_date 2017-06-17 _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 Gross John D. . 2 Sanulli Serena . . 3 Tibble Ryan W. . 4 Isaac 'R Stefan' . . 5 Narlikar Geeta J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 55 "13C chemical shifts" 106 "15N chemical shifts" 55 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-09-29 original BMRB . stop_ _Original_release_date 2017-06-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Biochemical basis for distinct roles of the heterochromatin proteins Swi6 and Chp2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28942089 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Stefan Isaac' R. . . 2 Sanulli Serena . . 3 Tibble Ryan . . 4 Hornsby Michael . . 5 Ravalin Matthew . . 6 Craik Charles S. . 7 Gross John D. . 8 Narlikar Geeta J. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume . _Journal_issue . _Journal_ISSN 1089-8638 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 30449 _Page_last 30449 _Year 2017 _Details . loop_ _Keyword 'S. pombe' 'analytical ultracentrifugation' heterochromatin 'nuclear magnetic resonance' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'chromatin-associated protein swi6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'chromatin-associated portein swi6' $Swi6 stop_ _System_molecular_weight 37293 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'chromatin-associated portein swi6' stop_ loop_ _Biological_function 'epigenetic repression' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Swi6 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Swi6 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Recognizes and binds histone 3 (H3) tail when Lys9 (K9) is trimethylated, leading to epigenetic repression.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; GKQVENYDSWEDLVSSIDTI ERKDDGTLEIYLTWKNGAIS HHPSTITNKKCPQKMLQFYE SHLTFRENE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 260 GLY 2 261 LYS 3 262 GLN 4 263 VAL 5 264 GLU 6 265 ASN 7 266 TYR 8 267 ASP 9 268 SER 10 269 TRP 11 270 GLU 12 271 ASP 13 272 LEU 14 273 VAL 15 274 SER 16 275 SER 17 276 ILE 18 277 ASP 19 278 THR 20 279 ILE 21 280 GLU 22 281 ARG 23 282 LYS 24 283 ASP 25 284 ASP 26 285 GLY 27 286 THR 28 287 LEU 29 288 GLU 30 289 ILE 31 290 TYR 32 291 LEU 33 292 THR 34 293 TRP 35 294 LYS 36 295 ASN 37 296 GLY 38 297 ALA 39 298 ILE 40 299 SER 41 300 HIS 42 301 HIS 43 302 PRO 44 303 SER 45 304 THR 46 305 ILE 47 306 THR 48 307 ASN 49 308 LYS 50 309 LYS 51 310 CYS 52 311 PRO 53 312 GLN 54 313 LYS 55 314 MET 56 315 LEU 57 316 GLN 58 317 PHE 59 318 TYR 60 319 GLU 61 320 SER 62 321 HIS 63 322 LEU 64 323 THR 65 324 PHE 66 325 ARG 67 326 GLU 68 327 ASN 69 328 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP P40381 'chromatin-associated protein swi6' . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Swi6 'fission yeast' 4896 Eukaryota Fungi Schizosaccharomyces pombe 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 $Swi6 'recombinant technology' . Escherichia coli . pET30a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Swi6_CSD _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Swi6 250 uM '[U-100% 13C; U-100% 15N]' 'HEPES pH 7.8' 20 mM 'natural abundance' 'potassium chloride' 150 mM 'natural abundance' DTT 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.131 loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_UCSF_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_UCSF_500 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $Swi6_CSD save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Swi6_CSD save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Swi6_CSD 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' 150 . mM pH 7.5 . pH pressure 1 . atm temperature 303 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 CBCA(CO)NH' '3D HNCA' stop_ loop_ _Sample_label $Swi6_CSD stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'chromatin-associated portein swi6' _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 1 262 3 GLN CA C 56.312 0.018 1 2 262 3 GLN CB C 28.735 0.000 1 3 263 4 VAL H H 7.909 0.001 1 4 263 4 VAL CA C 63.541 0.008 1 5 263 4 VAL CB C 31.374 0.000 1 6 263 4 VAL N N 118.369 0.028 1 7 264 5 GLU H H 8.648 0.001 1 8 264 5 GLU CA C 58.335 0.000 1 9 264 5 GLU N N 121.760 0.024 1 10 268 9 SER CA C 56.177 0.078 1 11 268 9 SER CB C 64.701 0.000 1 12 269 10 TRP H H 9.245 0.002 1 13 269 10 TRP CA C 53.874 0.026 1 14 269 10 TRP CB C 31.119 0.000 1 15 269 10 TRP N N 125.451 0.040 1 16 270 11 GLU H H 8.294 0.001 1 17 270 11 GLU CA C 59.859 0.000 1 18 270 11 GLU N N 120.299 0.025 1 19 271 12 ASP CA C 54.356 0.000 1 20 272 13 LEU H H 7.534 0.002 1 21 272 13 LEU CA C 55.260 0.003 1 22 272 13 LEU CB C 44.530 0.000 1 23 272 13 LEU N N 117.501 0.033 1 24 273 14 VAL H H 7.137 0.001 1 25 273 14 VAL CA C 62.911 0.022 1 26 273 14 VAL CB C 34.223 0.000 1 27 273 14 VAL N N 121.435 0.022 1 28 274 15 SER H H 9.340 0.004 1 29 274 15 SER CA C 59.336 0.035 1 30 274 15 SER N N 121.938 0.021 1 31 275 16 SER H H 7.891 0.002 1 32 275 16 SER CA C 57.121 0.012 1 33 275 16 SER CB C 64.026 0.157 1 34 275 16 SER N N 111.429 0.041 1 35 276 17 ILE H H 8.126 0.001 1 36 276 17 ILE CA C 59.388 0.022 1 37 276 17 ILE CB C 35.440 0.000 1 38 276 17 ILE N N 121.559 0.026 1 39 277 18 ASP H H 8.969 0.001 1 40 277 18 ASP CA C 56.836 0.067 1 41 277 18 ASP CB C 43.021 0.000 1 42 277 18 ASP N N 125.981 0.018 1 43 278 19 THR H H 7.542 0.002 1 44 278 19 THR CA C 60.906 0.081 1 45 278 19 THR CB C 71.095 0.000 1 46 278 19 THR N N 110.358 0.044 1 47 279 20 ILE H H 8.156 0.001 1 48 279 20 ILE CA C 60.140 0.022 1 49 279 20 ILE CB C 41.013 0.000 1 50 279 20 ILE N N 120.382 0.028 1 51 280 21 GLU H H 9.270 0.002 1 52 280 21 GLU CA C 54.375 0.070 1 53 280 21 GLU CB C 34.021 0.000 1 54 280 21 GLU N N 110.965 34.41 1 55 281 22 ARG H H 8.671 0.001 1 56 281 22 ARG CA C 55.214 0.127 1 57 281 22 ARG CB C 30.137 0.000 1 58 281 22 ARG N N 125.483 0.031 1 59 282 23 LYS H H 8.940 0.002 1 60 282 23 LYS CA C 54.043 0.000 1 61 282 23 LYS N N 127.212 0.022 1 62 283 24 ASP H H 9.097 0.002 1 63 283 24 ASP CA C 56.911 0.041 1 64 283 24 ASP CB C 40.096 0.000 1 65 283 24 ASP N N 115.143 0.029 1 66 284 25 ASP H H 7.619 0.001 1 67 284 25 ASP CA C 52.980 0.010 1 68 284 25 ASP CB C 39.907 0.000 1 69 284 25 ASP N N 116.212 0.037 1 70 285 26 GLY H H 8.208 0.001 1 71 285 26 GLY CA C 45.134 0.054 1 72 285 26 GLY N N 108.241 0.059 1 73 286 27 THR H H 7.965 0.001 1 74 286 27 THR CA C 64.497 3.339 1 75 286 27 THR N N 114.411 0.025 1 76 287 28 LEU H H 8.622 0.001 1 77 287 28 LEU CA C 53.819 0.033 1 78 287 28 LEU CB C 43.305 0.000 1 79 287 28 LEU N N 120.820 0.035 1 80 288 29 GLU H H 9.395 0.002 1 81 288 29 GLU CA C 55.200 0.002 1 82 288 29 GLU CB C 32.254 0.000 1 83 288 29 GLU N N 127.290 0.036 1 84 289 30 ILE H H 9.295 0.002 1 85 289 30 ILE CA C 58.870 0.033 1 86 289 30 ILE CB C 37.264 0.000 1 87 289 30 ILE N N 128.470 0.027 1 88 290 31 TYR H H 8.717 0.002 1 89 290 31 TYR CA C 57.651 0.011 1 90 290 31 TYR CB C 38.119 0.000 1 91 290 31 TYR N N 127.106 0.036 1 92 291 32 LEU H H 9.062 0.002 1 93 291 32 LEU CA C 53.896 0.021 1 94 291 32 LEU CB C 46.143 0.000 1 95 291 32 LEU N N 121.995 0.033 1 96 292 33 THR H H 8.439 0.002 1 97 292 33 THR CA C 61.940 0.025 1 98 292 33 THR CB C 69.852 0.000 1 99 292 33 THR N N 116.108 0.042 1 100 293 34 TRP H H 9.539 0.007 1 101 293 34 TRP CA C 57.314 0.027 1 102 293 34 TRP CB C 30.161 0.000 1 103 293 34 TRP N N 129.438 0.021 1 104 294 35 LYS H H 8.792 0.002 1 105 294 35 LYS CA C 60.048 0.000 1 106 294 35 LYS CB C 29.382 0.000 1 107 294 35 LYS N N 122.342 0.014 1 108 296 37 GLY H H 8.199 0.001 1 109 296 37 GLY CA C 44.808 0.036 1 110 296 37 GLY N N 108.924 0.065 1 111 297 38 ALA H H 7.851 0.001 1 112 297 38 ALA CA C 52.261 0.032 1 113 297 38 ALA CB C 19.311 0.000 1 114 297 38 ALA N N 123.360 0.025 1 115 298 39 ILE H H 8.208 0.000 1 116 298 39 ILE CA C 59.925 0.017 1 117 298 39 ILE CB C 41.452 0.000 1 118 298 39 ILE N N 116.358 0.021 1 119 299 40 SER H H 8.812 0.002 1 120 299 40 SER CA C 58.613 0.013 1 121 299 40 SER CB C 63.981 0.000 1 122 299 40 SER N N 117.639 0.037 1 123 300 41 HIS H H 7.216 0.002 1 124 300 41 HIS CA C 52.776 0.021 1 125 300 41 HIS CB C 30.563 0.000 1 126 300 41 HIS N N 112.505 0.035 1 127 301 42 HIS H H 8.885 0.001 1 128 301 42 HIS CA C 53.762 0.000 1 129 301 42 HIS N N 118.561 0.030 1 130 303 44 SER CA C 61.094 0.000 1 131 304 45 THR H H 7.298 0.001 1 132 304 45 THR CA C 64.218 0.028 1 133 304 45 THR CB C 68.172 0.000 1 134 304 45 THR N N 111.064 0.018 1 135 305 46 ILE H H 7.491 0.001 1 136 305 46 ILE CA C 62.399 0.014 1 137 305 46 ILE CB C 37.644 0.000 1 138 305 46 ILE N N 119.503 0.027 1 139 306 47 THR H H 7.740 0.002 1 140 306 47 THR CA C 66.463 0.065 1 141 306 47 THR N N 113.146 0.038 1 142 307 48 ASN H H 9.013 0.001 1 143 307 48 ASN CA C 55.514 0.041 1 144 307 48 ASN CB C 37.490 0.000 1 145 307 48 ASN N N 120.747 0.029 1 146 308 49 LYS H H 6.621 0.001 1 147 308 49 LYS CA C 56.816 0.000 1 148 308 49 LYS N N 114.135 0.034 1 149 311 52 PRO CA C 65.566 0.067 1 150 311 52 PRO CB C 31.385 0.000 1 151 312 53 GLN H H 10.992 0.001 1 152 312 53 GLN CA C 58.805 0.020 1 153 312 53 GLN CB C 25.747 0.000 1 154 312 53 GLN N N 118.798 0.025 1 155 313 54 LYS H H 8.301 0.002 1 156 313 54 LYS CA C 57.829 0.023 1 157 313 54 LYS CB C 31.250 0.000 1 158 313 54 LYS N N 122.135 0.025 1 159 314 55 MET H H 7.958 0.002 1 160 314 55 MET CA C 56.048 0.031 1 161 314 55 MET N N 117.558 0.023 1 162 315 56 LEU H H 8.840 0.004 1 163 315 56 LEU CA C 57.568 0.975 1 164 315 56 LEU CB C 41.382 0.000 1 165 315 56 LEU N N 121.423 0.033 1 166 316 57 GLN H H 7.955 0.003 1 167 316 57 GLN CA C 58.823 0.029 1 168 316 57 GLN CB C 28.496 0.000 1 169 316 57 GLN N N 116.923 0.029 1 170 317 58 PHE H H 7.705 0.001 1 171 317 58 PHE CA C 61.556 0.021 1 172 317 58 PHE CB C 38.190 0.000 1 173 317 58 PHE N N 121.348 0.018 1 174 318 59 TYR H H 8.669 0.001 1 175 318 59 TYR CA C 61.959 0.033 1 176 318 59 TYR CB C 36.374 0.000 1 177 318 59 TYR N N 122.167 0.023 1 178 319 60 GLU H H 8.511 0.002 1 179 319 60 GLU CA C 59.960 0.026 1 180 319 60 GLU CB C 29.380 0.000 1 181 319 60 GLU N N 116.745 0.033 1 182 320 61 SER H H 7.498 0.004 1 183 320 61 SER CA C 57.128 3.450 1 184 320 61 SER CB C 50.425 13.25 1 185 320 61 SER N N 112.094 0.042 1 186 321 62 HIS H H 7.672 0.001 1 187 321 62 HIS CA C 57.552 0.007 1 188 321 62 HIS CB C 30.573 0.000 1 189 321 62 HIS N N 119.956 0.025 1 190 322 63 LEU H H 7.516 0.002 1 191 322 63 LEU CA C 55.543 0.007 1 192 322 63 LEU CB C 42.715 0.000 1 193 322 63 LEU N N 120.447 0.036 1 194 323 64 THR H H 7.911 0.002 1 195 323 64 THR CA C 61.382 0.018 1 196 323 64 THR CB C 70.161 0.000 1 197 323 64 THR N N 113.918 0.019 1 198 324 65 PHE H H 8.321 0.008 1 199 324 65 PHE CA C 57.767 0.032 1 200 324 65 PHE CB C 39.905 0.000 1 201 324 65 PHE N N 122.117 0.029 1 202 325 66 ARG H H 8.380 0.004 1 203 325 66 ARG CA C 55.939 0.016 1 204 325 66 ARG CB C 31.142 0.000 1 205 325 66 ARG N N 122.077 0.029 1 206 326 67 GLU H H 8.596 0.001 1 207 326 67 GLU CA C 56.694 0.071 1 208 326 67 GLU CB C 30.386 0.000 1 209 326 67 GLU N N 122.319 0.025 1 210 327 68 ASN H H 8.507 0.002 1 211 327 68 ASN CA C 53.423 0.017 1 212 327 68 ASN CB C 39.189 0.000 1 213 327 68 ASN N N 119.334 0.009 1 214 328 69 GLU H H 7.924 0.001 1 215 328 69 GLU CA C 58.107 0.000 1 216 328 69 GLU N N 125.997 0.021 1 stop_ save_