data_27616 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for CBX8 chromodomain ; _BMRB_accession_number 27616 _BMRB_flat_file_name bmr27616.str _Entry_type original _Submission_date 2018-09-19 _Accession_date 2018-09-19 _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 Weaver Tyler M. . 2 Musselman Catherine A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 49 "13C chemical shifts" 101 "15N chemical shifts" 49 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-03-21 update BMRB 'update entry citation' 2018-12-17 original author 'original release' stop_ _Original_release_date 2018-09-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Engagement of DNA and H3K27me3 by the CBX8 chromodomain drives chromatin association. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30597065 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Connelly Katelyn E. . 2 Weaver Tyler M. . 3 Alpsoy Aktan . . 4 Gu Brian X. . 5 Musselman Catherine A. . 6 Dykhuizen Emily C. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic acids research' _Journal_volume 47 _Journal_issue 5 _Journal_ISSN 1362-4962 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2289 _Page_last 2305 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CBX8 CD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CBX8 CD' $CBX8_CD 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_CBX8_CD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CBX8_CD _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; GERVFAAEALLKRRIRKGRM EYLVKWKGWSQKYSTWEPEE NILDARLLAAFEERE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 7 GLY 2 8 GLU 3 9 ARG 4 10 VAL 5 11 PHE 6 12 ALA 7 13 ALA 8 14 GLU 9 15 ALA 10 16 LEU 11 17 LEU 12 18 LYS 13 19 ARG 14 20 ARG 15 21 ILE 16 22 ARG 17 23 LYS 18 24 GLY 19 25 ARG 20 26 MET 21 27 GLU 22 28 TYR 23 29 LEU 24 30 VAL 25 31 LYS 26 32 TRP 27 33 LYS 28 34 GLY 29 35 TRP 30 36 SER 31 37 GLN 32 38 LYS 33 39 TYR 34 40 SER 35 41 THR 36 42 TRP 37 43 GLU 38 44 PRO 39 45 GLU 40 46 GLU 41 47 ASN 42 48 ILE 43 49 LEU 44 50 ASP 45 51 ALA 46 52 ARG 47 53 LEU 48 54 LEU 49 55 ALA 50 56 ALA 51 57 PHE 52 58 GLU 53 59 GLU 54 60 ARG 55 61 GLU 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 $CBX8_CD Human 9606 Eukaryota Metazoa Homo sapiens 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 $CBX8_CD 'recombinant technology' . Escherichia coli . pGSTag 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 $CBX8_CD 275 uM '[U-13C; U-15N]' 'sodium chloride' 100 mM 'natural abundance' 'sodium phosphate' 40 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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 $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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' 0.14 . M pH 6.8 . 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 0.00 na indirect . . . 0.251449530 water H 1 protons ppm 4.8 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 HNCACB' '3D CBCA(CO)NH' 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 'CBX8 CD' _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 8 2 GLU CA C 56.390 0.003 1 2 8 2 GLU CB C 30.581 0.043 1 3 9 3 ARG H H 8.486 0.001 1 4 9 3 ARG CA C 56.095 0.083 1 5 9 3 ARG CB C 30.801 0.017 1 6 9 3 ARG N N 122.637 0.000 1 7 10 4 VAL H H 8.067 0.013 1 8 10 4 VAL CA C 61.909 0.014 1 9 10 4 VAL CB C 33.151 0.067 1 10 10 4 VAL N N 122.008 0.036 1 11 11 5 PHE H H 8.439 0.004 1 12 11 5 PHE CA C 57.142 0.005 1 13 11 5 PHE CB C 39.576 0.011 1 14 11 5 PHE N N 125.514 0.003 1 15 12 6 ALA H H 9.026 0.001 1 16 12 6 ALA CA C 51.171 0.024 1 17 12 6 ALA CB C 20.659 0.008 1 18 12 6 ALA N N 126.926 0.001 1 19 13 7 ALA H H 8.945 0.001 1 20 13 7 ALA CA C 53.350 0.001 1 21 13 7 ALA CB C 19.456 0.039 1 22 13 7 ALA N N 126.720 0.005 1 23 14 8 GLU H H 9.416 0.003 1 24 14 8 GLU CA C 56.682 0.021 1 25 14 8 GLU CB C 32.679 0.008 1 26 14 8 GLU N N 122.906 0.002 1 27 15 9 ALA H H 7.808 0.001 1 28 15 9 ALA CA C 51.597 0.022 1 29 15 9 ALA CB C 22.290 0.000 1 30 15 9 ALA N N 117.200 0.000 1 31 16 10 LEU H H 8.590 0.001 1 32 16 10 LEU CA C 52.854 0.044 1 33 16 10 LEU CB C 41.095 0.029 1 34 16 10 LEU N N 119.219 0.007 1 35 17 11 LEU H H 9.299 0.001 1 36 17 11 LEU CA C 56.650 0.026 1 37 17 11 LEU CB C 43.459 0.051 1 38 17 11 LEU N N 121.161 0.002 1 39 18 12 LYS H H 7.270 0.000 1 40 18 12 LYS CA C 55.189 0.002 1 41 18 12 LYS CB C 38.173 0.041 1 42 18 12 LYS N N 114.174 0.000 1 43 19 13 ARG H H 9.047 0.002 1 44 19 13 ARG CA C 54.773 0.021 1 45 19 13 ARG CB C 34.479 0.003 1 46 19 13 ARG N N 121.435 0.000 1 47 20 14 ARG H H 9.209 0.003 1 48 20 14 ARG CA C 54.292 0.063 1 49 20 14 ARG CB C 32.716 0.002 1 50 20 14 ARG N N 121.533 0.000 1 51 21 15 ILE H H 8.314 0.002 1 52 21 15 ILE CA C 59.747 0.004 1 53 21 15 ILE CB C 38.413 0.012 1 54 21 15 ILE N N 120.125 0.005 1 55 22 16 ARG H H 8.929 0.001 1 56 22 16 ARG CA C 55.023 0.000 1 57 22 16 ARG CB C 33.335 0.000 1 58 22 16 ARG N N 128.679 0.004 1 59 24 18 GLY H H 8.087 0.003 1 60 24 18 GLY CA C 45.608 0.055 1 61 24 18 GLY N N 102.859 0.000 1 62 25 19 ARG H H 7.760 0.003 1 63 25 19 ARG CA C 54.235 0.011 1 64 25 19 ARG CB C 32.777 0.007 1 65 25 19 ARG N N 120.413 0.000 1 66 26 20 MET H H 8.756 0.004 1 67 26 20 MET CA C 55.118 0.028 1 68 26 20 MET CB C 33.005 0.039 1 69 26 20 MET N N 122.279 0.000 1 70 27 21 GLU H H 9.108 0.002 1 71 27 21 GLU CA C 54.152 0.033 1 72 27 21 GLU CB C 34.936 0.016 1 73 27 21 GLU N N 124.069 0.000 1 74 28 22 TYR H H 9.343 0.003 1 75 28 22 TYR CA C 56.191 0.000 1 76 28 22 TYR CB C 42.974 0.072 1 77 28 22 TYR N N 117.434 0.006 1 78 29 23 LEU H H 7.963 0.003 1 79 29 23 LEU CA C 53.609 0.094 1 80 29 23 LEU CB C 40.471 0.072 1 81 29 23 LEU N N 126.693 0.000 1 82 30 24 VAL H H 8.916 0.002 1 83 30 24 VAL CA C 62.772 0.070 1 84 30 24 VAL CB C 33.538 0.023 1 85 30 24 VAL N N 130.911 0.000 1 86 31 25 LYS H H 8.171 0.003 1 87 31 25 LYS CA C 53.906 0.087 1 88 31 25 LYS CB C 33.870 0.066 1 89 31 25 LYS N N 125.286 0.003 1 90 32 26 TRP H H 8.849 0.001 1 91 32 26 TRP CA C 55.903 0.012 1 92 32 26 TRP CB C 31.242 0.033 1 93 32 26 TRP N N 132.152 0.000 1 94 33 27 LYS H H 9.415 0.002 1 95 33 27 LYS CA C 58.144 0.021 1 96 33 27 LYS CB C 32.820 0.038 1 97 33 27 LYS N N 124.797 0.000 1 98 34 28 GLY H H 9.285 0.002 1 99 34 28 GLY CA C 45.293 0.008 1 100 34 28 GLY N N 113.837 0.000 1 101 35 29 TRP H H 7.750 0.002 1 102 35 29 TRP CA C 55.525 0.047 1 103 35 29 TRP CB C 32.333 0.065 1 104 35 29 TRP N N 119.758 0.000 1 105 36 30 SER H H 8.904 0.006 1 106 36 30 SER CA C 58.417 0.000 1 107 36 30 SER CB C 64.209 0.000 1 108 36 30 SER N N 117.410 0.000 1 109 38 32 LYS CB C 31.723 0.099 1 110 39 33 TYR H H 7.976 0.001 1 111 39 33 TYR CA C 58.215 0.040 1 112 39 33 TYR CB C 38.338 0.031 1 113 39 33 TYR N N 117.667 0.000 1 114 40 34 SER H H 7.592 0.002 1 115 40 34 SER CA C 60.738 0.032 1 116 40 34 SER CB C 63.731 0.026 1 117 40 34 SER N N 116.747 0.000 1 118 41 35 THR H H 7.934 0.001 1 119 41 35 THR CA C 59.658 0.016 1 120 41 35 THR CB C 71.736 0.000 1 121 41 35 THR N N 113.552 0.000 1 122 42 36 TRP H H 8.613 0.001 1 123 42 36 TRP CA C 56.626 0.031 1 124 42 36 TRP CB C 29.529 0.019 1 125 42 36 TRP N N 123.055 0.006 1 126 43 37 GLU H H 9.744 0.005 1 127 43 37 GLU CA C 52.111 0.000 1 128 43 37 GLU CB C 32.404 0.000 1 129 43 37 GLU N N 124.565 0.000 1 130 44 38 PRO CA C 62.385 0.000 1 131 44 38 PRO CB C 32.532 0.000 1 132 45 39 GLU H H 8.620 0.002 1 133 45 39 GLU CA C 60.314 0.004 1 134 45 39 GLU CB C 30.563 0.004 1 135 45 39 GLU N N 121.088 0.007 1 136 46 40 GLU H H 9.657 0.002 1 137 46 40 GLU CA C 58.557 0.058 1 138 46 40 GLU CB C 28.487 0.032 1 139 46 40 GLU N N 116.921 0.003 1 140 47 41 ASN H H 8.054 0.002 1 141 47 41 ASN CA C 52.473 0.069 1 142 47 41 ASN CB C 38.549 0.002 1 143 47 41 ASN N N 117.690 0.000 1 144 48 42 ILE H H 7.711 0.001 1 145 48 42 ILE CA C 60.376 0.023 1 146 48 42 ILE CB C 35.935 0.022 1 147 48 42 ILE N N 122.053 0.007 1 148 49 43 LEU H H 8.063 0.001 1 149 49 43 LEU CA C 55.770 0.001 1 150 49 43 LEU CB C 41.386 0.031 1 151 49 43 LEU N N 124.535 0.005 1 152 50 44 ASP H H 7.233 0.001 1 153 50 44 ASP CA C 52.945 0.016 1 154 50 44 ASP CB C 40.865 0.000 1 155 50 44 ASP N N 117.970 0.006 1 156 51 45 ALA H H 8.561 0.001 1 157 51 45 ALA CA C 54.821 0.012 1 158 51 45 ALA CB C 18.655 0.008 1 159 51 45 ALA N N 128.184 0.001 1 160 52 46 ARG H H 8.287 0.001 1 161 52 46 ARG CA C 58.835 0.022 1 162 52 46 ARG CB C 29.440 0.034 1 163 52 46 ARG N N 118.233 0.000 1 164 53 47 LEU H H 7.581 0.000 1 165 53 47 LEU CA C 57.249 0.018 1 166 53 47 LEU CB C 41.913 0.005 1 167 53 47 LEU N N 119.342 0.003 1 168 54 48 LEU H H 7.042 0.001 1 169 54 48 LEU CA C 57.507 0.022 1 170 54 48 LEU CB C 41.969 0.037 1 171 54 48 LEU N N 118.062 0.000 1 172 55 49 ALA H H 7.711 0.002 1 173 55 49 ALA CA C 54.544 0.006 1 174 55 49 ALA CB C 18.233 0.007 1 175 55 49 ALA N N 120.857 0.008 1 176 56 50 ALA H H 7.490 0.001 1 177 56 50 ALA CA C 52.937 0.000 1 178 56 50 ALA CB C 18.698 0.000 1 179 56 50 ALA N N 118.045 0.000 1 180 57 51 PHE H H 7.384 0.000 1 181 57 51 PHE CA C 60.291 0.007 1 182 57 51 PHE CB C 39.724 0.028 1 183 57 51 PHE N N 119.262 0.003 1 184 58 52 GLU H H 7.728 0.001 1 185 58 52 GLU CA C 56.277 0.006 1 186 58 52 GLU CB C 31.071 0.001 1 187 58 52 GLU N N 122.701 0.001 1 188 59 53 GLU H H 8.041 0.001 1 189 59 53 GLU CA C 56.834 0.000 1 190 59 53 GLU CB C 30.035 0.010 1 191 59 53 GLU N N 120.876 0.000 1 192 60 54 ARG H H 8.066 0.001 1 193 60 54 ARG CA C 56.083 0.000 1 194 60 54 ARG CB C 31.292 0.010 1 195 60 54 ARG N N 122.310 0.000 1 196 61 55 GLU H H 7.983 0.001 1 197 61 55 GLU CA C 58.213 0.000 1 198 61 55 GLU CB C 31.088 0.000 1 199 61 55 GLU N N 126.951 0.000 1 stop_ save_