data_18386 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Characterization of the chromoshadow domain-mediated binding of heterochromatin protein 1 alpha (HP1 alpha) to histone H3: Backbone 1H, 15N chemical shift assignments for HP1 CSDalpha(109-185) ; _BMRB_accession_number 18386 _BMRB_flat_file_name bmr18386.str _Entry_type original _Submission_date 2012-04-10 _Accession_date 2012-04-10 _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 Richart Alexandria N. . 2 Brunner Clair I.W. . 3 Stott Katherine . . 4 Murzina Natalia V. . 5 Thomas Jean O. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 72 "15N chemical shifts" 70 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-14 update BMRB 'update entry citation' 2012-05-21 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18385 H3(1-59) stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Characterization of Chromoshadow Domain-mediated Binding of Heterochromatin Protein 1 (HP1) to Histone H3.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22493481 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Richart Alexandria N. . 2 Brunner Clair I.W. . 3 Stott Katherine . . 4 Murzina Natalia V. . 5 Thomas Jean O. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 22 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18730 _Page_last 18737 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'HP1 CSDalpha(109-185)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'HP1 CSDalpha(109-185)' $HP1_CSDalpha(109-185) 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_HP1_CSDalpha(109-185) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common HP1_CSDalpha(109-185) _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 191 _Mol_residue_sequence ; MGKKTKRTADSSSSEDEEEY VVEKVLDRRVVKGQVEYLLK WKGFSEEHNTWEPEKNLDCP ELISEFMKKYKKMKEGENNK PREKSESNKRKSNFSNSADD IKSKKKREQSNDIARGFERG LEPEKIIGATDSCGDLMFLM KWKDTDEADLVLAKEANVKC PQIVIAFYEERLTWHAYPED AENKEKETAKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 LYS 4 4 LYS 5 5 THR 6 6 LYS 7 7 ARG 8 8 THR 9 9 ALA 10 10 ASP 11 11 SER 12 12 SER 13 13 SER 14 14 SER 15 15 GLU 16 16 ASP 17 17 GLU 18 18 GLU 19 19 GLU 20 20 TYR 21 21 VAL 22 22 VAL 23 23 GLU 24 24 LYS 25 25 VAL 26 26 LEU 27 27 ASP 28 28 ARG 29 29 ARG 30 30 VAL 31 31 VAL 32 32 LYS 33 33 GLY 34 34 GLN 35 35 VAL 36 36 GLU 37 37 TYR 38 38 LEU 39 39 LEU 40 40 LYS 41 41 TRP 42 42 LYS 43 43 GLY 44 44 PHE 45 45 SER 46 46 GLU 47 47 GLU 48 48 HIS 49 49 ASN 50 50 THR 51 51 TRP 52 52 GLU 53 53 PRO 54 54 GLU 55 55 LYS 56 56 ASN 57 57 LEU 58 58 ASP 59 59 CYS 60 60 PRO 61 61 GLU 62 62 LEU 63 63 ILE 64 64 SER 65 65 GLU 66 66 PHE 67 67 MET 68 68 LYS 69 69 LYS 70 70 TYR 71 71 LYS 72 72 LYS 73 73 MET 74 74 LYS 75 75 GLU 76 76 GLY 77 77 GLU 78 78 ASN 79 79 ASN 80 80 LYS 81 81 PRO 82 82 ARG 83 83 GLU 84 84 LYS 85 85 SER 86 86 GLU 87 87 SER 88 88 ASN 89 89 LYS 90 90 ARG 91 91 LYS 92 92 SER 93 93 ASN 94 94 PHE 95 95 SER 96 96 ASN 97 97 SER 98 98 ALA 99 99 ASP 100 100 ASP 101 101 ILE 102 102 LYS 103 103 SER 104 104 LYS 105 105 LYS 106 106 LYS 107 107 ARG 108 108 GLU 109 109 GLN 110 110 SER 111 111 ASN 112 112 ASP 113 113 ILE 114 114 ALA 115 115 ARG 116 116 GLY 117 117 PHE 118 118 GLU 119 119 ARG 120 120 GLY 121 121 LEU 122 122 GLU 123 123 PRO 124 124 GLU 125 125 LYS 126 126 ILE 127 127 ILE 128 128 GLY 129 129 ALA 130 130 THR 131 131 ASP 132 132 SER 133 133 CYS 134 134 GLY 135 135 ASP 136 136 LEU 137 137 MET 138 138 PHE 139 139 LEU 140 140 MET 141 141 LYS 142 142 TRP 143 143 LYS 144 144 ASP 145 145 THR 146 146 ASP 147 147 GLU 148 148 ALA 149 149 ASP 150 150 LEU 151 151 VAL 152 152 LEU 153 153 ALA 154 154 LYS 155 155 GLU 156 156 ALA 157 157 ASN 158 158 VAL 159 159 LYS 160 160 CYS 161 161 PRO 162 162 GLN 163 163 ILE 164 164 VAL 165 165 ILE 166 166 ALA 167 167 PHE 168 168 TYR 169 169 GLU 170 170 GLU 171 171 ARG 172 172 LEU 173 173 THR 174 174 TRP 175 175 HIS 176 176 ALA 177 177 TYR 178 178 PRO 179 179 GLU 180 180 ASP 181 181 ALA 182 182 GLU 183 183 ASN 184 184 LYS 185 185 GLU 186 186 LYS 187 187 GLU 188 188 THR 189 189 ALA 190 190 LYS 191 191 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-22 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 DBJ BAB25897 "unnamed protein product [Mus musculus]" 100.00 191 97.91 99.48 1.81e-132 DBJ BAB31173 "unnamed protein product [Mus musculus]" 100.00 191 97.38 99.48 4.74e-132 DBJ BAC26923 "unnamed protein product [Mus musculus]" 100.00 191 97.91 99.48 1.81e-132 DBJ BAC26966 "unnamed protein product [Mus musculus]" 100.00 191 97.91 99.48 1.81e-132 DBJ BAC28107 "unnamed protein product [Mus musculus]" 100.00 191 97.91 99.48 1.81e-132 EMBL CAA67960 "HP1 alpha protein [Mus musculus]" 100.00 191 97.91 99.48 1.81e-132 EMBL CAG33699 "CBX5 [Homo sapiens]" 100.00 191 99.48 99.48 4.90e-134 GB AAA72327 "unnamed protein product [Homo sapiens]" 100.00 191 100.00 100.00 4.67e-135 GB AAB26994 "HP1Hs alpha [Homo sapiens]" 100.00 191 100.00 100.00 4.67e-135 GB AAC50553 "HP1Hs-alpha, partial [Homo sapiens]" 99.48 190 100.00 100.00 4.53e-134 GB AAF80993 "heterochromatin protein 1 alpha [Mus musculus]" 100.00 191 97.91 99.48 1.81e-132 GB AAH04707 "Cbx5 protein [Mus musculus]" 100.00 191 97.91 99.48 1.81e-132 REF NP_001070257 "chromobox protein homolog 5 [Mus musculus]" 100.00 191 97.91 99.48 1.81e-132 REF NP_001100267 "chromobox protein homolog 5 [Rattus norvegicus]" 100.00 191 97.91 99.48 1.81e-132 REF NP_001103686 "chromobox protein homolog 5 [Mus musculus]" 100.00 191 97.91 99.48 1.81e-132 REF NP_001120793 "chromobox protein homolog 5 [Homo sapiens]" 100.00 191 100.00 100.00 4.67e-135 REF NP_001120794 "chromobox protein homolog 5 [Homo sapiens]" 100.00 191 100.00 100.00 4.67e-135 SP P45973 "RecName: Full=Chromobox protein homolog 5; AltName: Full=Antigen p25; AltName: Full=Heterochromatin protein 1 homolog alpha; Sh" 100.00 191 100.00 100.00 4.67e-135 SP Q61686 "RecName: Full=Chromobox protein homolog 5; AltName: Full=Heterochromatin protein 1 homolog alpha; Short=HP1 alpha" 100.00 191 97.91 99.48 1.81e-132 TPG DAA30037 "TPA: chromobox homolog 5 isoform 1 [Bos taurus]" 100.00 191 100.00 100.00 4.67e-135 TPG DAA30038 "TPA: chromobox homolog 5 isoform 2 [Bos taurus]" 100.00 191 100.00 100.00 4.67e-135 TPG DAA30039 "TPA: chromobox homolog 5 isoform 3 [Bos taurus]" 100.00 191 100.00 100.00 4.67e-135 TPG DAA30040 "TPA: chromobox homolog 5 isoform 4 [Bos taurus]" 100.00 191 100.00 100.00 4.67e-135 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $HP1_CSDalpha(109-185) Humans 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 $HP1_CSDalpha(109-185) 'recombinant technology' . Escherichia coli . pGEX2T 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 $HP1_CSDalpha(109-185) 0.5 mM '[U-95% 15N]' 'sodium phosphate' 10 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Saveframe_category software _Name AZARA _Version . loop_ _Vendor _Address _Electronic_address Boucher . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _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_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 0.01 . M pH 8.0 . 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 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 1H-15N TOCSY' '3D 1H-15N NOESY' 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 'HP1 CSDalpha(109-185)' _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 1 113 113 ILE H H 7.797 0.002 1 2 113 113 ILE N N 118.025 0.020 1 3 114 114 ALA H H 8.155 0.002 1 4 114 114 ALA N N 126.659 0.020 1 5 115 115 ARG H H 8.308 0.002 1 6 115 115 ARG N N 120.066 0.020 1 7 116 116 GLY H H 8.715 0.002 1 8 116 116 GLY N N 108.036 0.020 1 9 117 117 PHE H H 9.523 0.002 1 10 117 117 PHE N N 122.559 0.020 1 11 118 118 GLU H H 8.273 0.002 1 12 118 118 GLU N N 118.608 0.020 1 13 119 119 ARG H H 7.222 0.002 1 14 119 119 ARG N N 115.566 0.020 1 15 120 120 GLY H H 7.443 0.002 1 16 120 120 GLY N N 104.223 0.020 1 17 121 121 LEU H H 7.627 0.002 1 18 121 121 LEU N N 119.699 0.020 1 19 122 122 GLU H H 9.062 0.002 1 20 122 122 GLU N N 122.104 0.020 1 21 124 124 GLU H H 8.810 0.002 1 22 124 124 GLU N N 121.118 0.020 1 23 125 125 LYS H H 7.602 0.002 1 24 125 125 LYS N N 114.172 0.020 1 25 126 126 ILE H H 8.093 0.002 1 26 126 126 ILE N N 124.052 0.020 1 27 127 127 ILE H H 8.713 0.002 1 28 127 127 ILE N N 119.918 0.020 1 29 128 128 GLY H H 7.194 0.002 1 30 128 128 GLY N N 107.972 0.020 1 31 129 129 ALA H H 8.605 0.002 1 32 129 129 ALA N N 122.102 0.020 1 33 130 130 THR H H 8.796 0.002 1 34 130 130 THR N N 114.421 0.020 1 35 131 131 ASP H H 8.230 0.002 1 36 131 131 ASP N N 125.100 0.020 1 37 132 132 SER H H 8.471 0.002 1 38 132 132 SER N N 117.800 0.020 1 39 134 134 GLY H H 8.452 0.002 1 40 134 134 GLY N N 108.831 0.020 1 41 135 135 ASP H H 7.693 0.002 1 42 135 135 ASP N N 120.340 0.020 1 43 136 136 LEU H H 8.321 0.002 1 44 136 136 LEU N N 123.371 0.020 1 45 137 137 MET H H 8.905 0.002 1 46 137 137 MET N N 125.615 0.020 1 47 138 138 PHE H H 8.949 0.002 1 48 138 138 PHE N N 116.500 0.020 1 49 139 139 LEU H H 8.297 0.002 1 50 139 139 LEU N N 123.868 0.020 1 51 140 140 MET H H 8.843 0.002 1 52 140 140 MET N N 130.086 0.020 1 53 141 141 LYS H H 8.512 0.002 1 54 141 141 LYS N N 126.113 0.002 1 55 142 142 TRP H H 8.227 0.002 1 56 142 142 TRP HE1 H 11.242 0.002 1 57 142 142 TRP N N 129.770 0.020 1 58 142 142 TRP NE1 N 131.874 0.020 1 59 143 143 LYS H H 9.097 0.002 1 60 143 143 LYS N N 121.992 0.020 1 61 144 144 ASP H H 9.211 0.002 1 62 144 144 ASP N N 118.082 0.020 1 63 145 145 THR H H 7.525 0.002 1 64 145 145 THR N N 111.426 0.020 1 65 146 146 ASP H H 8.603 0.002 1 66 146 146 ASP N N 124.374 0.020 1 67 147 147 GLU H H 8.209 0.002 1 68 147 147 GLU N N 120.308 0.020 1 69 148 148 ALA H H 8.104 0.002 1 70 148 148 ALA N N 125.047 0.020 1 71 149 149 ASP H H 8.222 0.002 1 72 149 149 ASP N N 117.135 0.020 1 73 150 150 LEU H H 8.562 0.002 1 74 150 150 LEU N N 120.998 0.020 1 75 151 151 VAL H H 9.188 0.002 1 76 151 151 VAL N N 114.323 0.020 1 77 152 152 LEU H H 9.448 0.002 1 78 152 152 LEU N N 123.696 0.020 1 79 153 153 ALA H H 8.760 0.002 1 80 153 153 ALA N N 129.510 0.020 1 81 154 154 LYS H H 8.463 0.002 1 82 154 154 LYS N N 112.043 0.020 1 83 155 155 GLU H H 6.913 0.002 1 84 155 155 GLU N N 116.310 0.020 1 85 156 156 ALA H H 8.364 0.002 1 86 156 156 ALA N N 123.408 0.020 1 87 157 157 ASN H H 9.337 0.009 1 88 157 157 ASN HD21 H 6.726 0.002 1 89 157 157 ASN HD22 H 6.979 0.002 1 90 157 157 ASN N N 114.679 0.020 1 91 157 157 ASN ND2 N 105.060 0.020 1 92 158 158 VAL H H 6.639 0.002 1 93 158 158 VAL N N 109.810 0.020 1 94 159 159 LYS H H 8.290 0.002 1 95 159 159 LYS N N 120.301 0.020 1 96 160 160 CYS H H 9.171 0.002 1 97 160 160 CYS N N 113.080 0.020 1 98 162 162 GLN H H 8.942 0.006 1 99 162 162 GLN HE21 H 7.742 0.002 1 100 162 162 GLN HE22 H 7.155 0.002 1 101 162 162 GLN N N 112.747 0.020 1 102 162 162 GLN NE2 N 112.741 0.020 1 103 163 163 ILE H H 7.286 0.002 1 104 163 163 ILE N N 122.265 0.020 1 105 164 164 VAL H H 7.202 0.002 1 106 164 164 VAL N N 122.321 0.020 1 107 165 165 ILE H H 8.666 0.002 1 108 165 165 ILE N N 118.256 0.020 1 109 166 166 ALA H H 7.572 0.002 1 110 166 166 ALA N N 118.947 0.020 1 111 167 167 PHE H H 7.202 0.002 1 112 167 167 PHE N N 118.123 0.020 1 113 168 168 TYR H H 7.678 0.002 1 114 168 168 TYR N N 119.262 0.020 1 115 169 169 GLU H H 8.951 0.002 1 116 169 169 GLU N N 118.156 0.020 1 117 170 170 GLU H H 7.477 0.002 1 118 170 170 GLU N N 117.543 0.020 1 119 171 171 ARG H H 7.432 0.002 1 120 171 171 ARG N N 116.482 0.020 1 121 172 172 LEU H H 7.781 0.002 1 122 172 172 LEU N N 120.083 0.020 1 123 173 173 THR H H 7.727 0.002 1 124 173 173 THR N N 112.483 0.020 1 125 174 174 TRP H H 8.004 0.002 1 126 174 174 TRP HE1 H 10.266 0.002 1 127 174 174 TRP N N 121.343 0.020 1 128 174 174 TRP NE1 N 129.212 0.020 1 129 179 179 GLU H H 8.554 0.002 1 130 179 179 GLU N N 120.887 0.020 1 131 180 180 ASP H H 8.381 0.002 1 132 180 180 ASP N N 121.063 0.020 1 133 181 181 ALA H H 8.199 0.002 1 134 181 181 ALA N N 124.095 0.020 1 135 182 182 GLU H H 8.355 0.002 1 136 182 182 GLU N N 119.130 0.020 1 137 183 183 ASN H H 8.403 0.002 1 138 183 183 ASN N N 119.452 0.020 1 139 184 184 LYS H H 8.279 0.002 1 140 184 184 LYS N N 122.350 0.020 1 141 185 185 GLU H H 8.038 0.002 1 142 185 185 GLU N N 126.863 0.020 1 stop_ save_