data_15398 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NH, NN, C and CA chemical shift assignment of the nuclear coactivator binding domain of CBP in the free state ; _BMRB_accession_number 15398 _BMRB_flat_file_name bmr15398.str _Entry_type original _Submission_date 2007-07-20 _Accession_date 2007-07-20 _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 Ebert Marc-Olivier . . 2 Bae Sung-Hun . . 3 Dyson H. Jane . 4 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 48 "13C chemical shifts" 105 "15N chemical shifts" 48 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-04-04 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15397 'ACTR in the free state' 5228 'ACTR in complex with the CREB binding protein, CBP' stop_ _Original_release_date 2008-04-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Relaxation Study of the Complex Formed Between CBP and the Activation Domain of the Nuclear Hormone Receptor Coactivator ACTR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18177052 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ebert Marc-Olivier . . 2 Bae Sung-Hun . . 3 Dyson H. Jane . 4 Wright Peter E. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 47 _Journal_issue 5 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1299 _Page_last 1308 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CBP $CBP stop_ _System_molecular_weight . _System_physical_state unfolded _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CBP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 59 _Mol_residue_sequence ; PNRSISPSALQDLLRTLKSP SSPQQQQQVLNILKSNPQLM AAFIKQRTAKYVANQPGMQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2059 PRO 2 2060 ASN 3 2061 ARG 4 2062 SER 5 2063 ILE 6 2064 SER 7 2065 PRO 8 2066 SER 9 2067 ALA 10 2068 LEU 11 2069 GLN 12 2070 ASP 13 2071 LEU 14 2072 LEU 15 2073 ARG 16 2074 THR 17 2075 LEU 18 2076 LYS 19 2077 SER 20 2078 PRO 21 2079 SER 22 2080 SER 23 2081 PRO 24 2082 GLN 25 2083 GLN 26 2084 GLN 27 2085 GLN 28 2086 GLN 29 2087 VAL 30 2088 LEU 31 2089 ASN 32 2090 ILE 33 2091 LEU 34 2092 LYS 35 2093 SER 36 2094 ASN 37 2095 PRO 38 2096 GLN 39 2097 LEU 40 2098 MET 41 2099 ALA 42 2100 ALA 43 2101 PHE 44 2102 ILE 45 2103 LYS 46 2104 GLN 47 2105 ARG 48 2106 THR 49 2107 ALA 50 2108 LYS 51 2109 TYR 52 2110 VAL 53 2111 ALA 54 2112 ASN 55 2113 GLN 56 2114 PRO 57 2115 GLY 58 2116 MET 59 2117 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 BMRB 16363 CBP 100.00 59 100.00 100.00 1.67e-31 BMRB 17073 CBP 100.00 59 100.00 100.00 1.67e-31 PDB 1JJS "Nmr Structure Of Ibid, A Domain Of CbpP300" 77.97 50 100.00 100.00 4.01e-14 PDB 1KBH "Mutual Synergistic Folding In The Interaction Between Nuclear Receptor Coactivators Cbp And Actr" 98.31 59 100.00 100.00 1.10e-30 PDB 1ZOQ "Irf3-Cbp Complex" 79.66 47 100.00 100.00 1.36e-14 PDB 2C52 "Structural Diversity In Cbp P160 Complexes" 100.00 59 100.00 100.00 1.67e-31 PDB 2KKJ "Solution Structure Of The Nuclear Coactivator Binding Domain Of Cbp" 100.00 59 100.00 100.00 1.67e-31 PDB 2L14 "Structure Of Cbp Nuclear Coactivator Binding Domain In Complex With P53 Tad" 100.00 59 100.00 100.00 1.67e-31 DBJ BAE06125 "CREBBP variant protein [Homo sapiens]" 100.00 2472 98.31 98.31 1.18e-26 DBJ BAI45616 "CREB binding protein [synthetic construct]" 100.00 2442 98.31 98.31 1.26e-26 GB AAB28651 "CREB-binding protein [Mus sp.]" 100.00 2441 100.00 100.00 8.50e-28 GB AAC17736 "CBP [Homo sapiens]" 100.00 923 98.31 98.31 7.76e-27 GB AAC51331 "CREB-binding protein [Homo sapiens]" 100.00 2442 98.31 98.31 1.26e-26 GB AAC51340 "CREB-binding protein [Homo sapiens]" 100.00 932 98.31 98.31 8.74e-27 GB AAC51770 "CREB-binding protein [Homo sapiens]" 100.00 2442 98.31 98.31 1.26e-26 PRF 1923401A "protein CBP" 100.00 2441 100.00 100.00 8.74e-28 REF NP_001020603 "CREB-binding protein [Mus musculus]" 100.00 2441 98.31 98.31 1.21e-26 REF NP_001073315 "CREB-binding protein isoform b [Homo sapiens]" 100.00 2404 98.31 98.31 1.18e-26 REF NP_001247644 "CREB-binding protein [Macaca mulatta]" 100.00 2442 98.31 98.31 1.30e-26 REF NP_004371 "CREB-binding protein isoform a [Homo sapiens]" 100.00 2442 98.31 98.31 1.26e-26 REF NP_596872 "CREB-binding protein [Rattus norvegicus]" 100.00 2444 98.31 98.31 1.17e-26 SP P45481 "RecName: Full=CREB-binding protein" 100.00 2441 98.31 98.31 1.28e-26 SP Q6JHU9 "RecName: Full=CREB-binding protein" 100.00 2442 98.31 98.31 1.09e-26 SP Q92793 "RecName: Full=CREB-binding protein" 100.00 2442 98.31 98.31 1.26e-26 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CBP Mouse 10090 Eukaryota Metazoa Mus musculus 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 $CBP 'recombinant technology' . Escherichia coli . pET22b 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 $CBP 1 mM '[U-98% 13C; U-98% 15N]' NaCl 50 mM . 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 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_(HCA)CO(CA)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HCA)CO(CA)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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' 50 . mM pH 6.7 . pH pressure 1 . atm temperature 304.15 . 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 water C 13 protons ppm 4.715615 internal indirect . . . 0.251449530 water H 1 protons ppm 4.715615 internal direct . . . 1 water N 15 protons ppm 4.715615 internal 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_NH_NN_C_and_CA_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D (HCA)CO(CA)NH' '3D HNCO' '2D 1H-15N HSQC' 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 CBP _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 2063 5 ILE H H 8.146 . 1 2 2063 5 ILE C C 175.58 . 1 3 2063 5 ILE CA C 60.711 . 1 4 2063 5 ILE N N 122.3 . 1 5 2064 6 SER H H 8.416 . 1 6 2064 6 SER C C 173.304 . 1 7 2064 6 SER CA C 56.276 . 1 8 2064 6 SER N N 122.129 . 1 9 2065 7 PRO C C 178.25 . 1 10 2066 8 SER H H 8.2 . 1 11 2066 8 SER C C 175.399 . 1 12 2066 8 SER CA C 59.788 . 1 13 2066 8 SER N N 114.078 . 1 14 2067 9 ALA H H 8.037 . 1 15 2067 9 ALA C C 179.578 . 1 16 2067 9 ALA CA C 54.48 . 1 17 2067 9 ALA N N 125.897 . 1 18 2068 10 LEU H H 8.093 . 1 19 2068 10 LEU C C 178.273 . 1 20 2068 10 LEU CA C 57.832 . 1 21 2068 10 LEU N N 118.874 . 1 22 2069 11 GLN H H 7.977 . 1 23 2069 11 GLN C C 178.609 . 1 24 2069 11 GLN CA C 58.978 . 1 25 2069 11 GLN N N 117.504 . 1 26 2070 12 ASP H H 8.074 . 1 27 2070 12 ASP C C 178.827 . 1 28 2070 12 ASP CA C 57.198 . 1 29 2070 12 ASP N N 119.902 . 1 30 2071 13 LEU H H 8.132 . 1 31 2071 13 LEU C C 178.628 . 1 32 2071 13 LEU CA C 58.15 . 1 33 2071 13 LEU N N 122.471 . 1 34 2072 14 LEU H H 8.379 . 1 35 2072 14 LEU C C 179.299 . 1 36 2072 14 LEU CA C 57.969 . 1 37 2072 14 LEU N N 118.532 . 1 38 2073 15 ARG H H 7.994 . 1 39 2073 15 ARG C C 178.948 . 1 40 2073 15 ARG CA C 59.212 . 1 41 2073 15 ARG N N 118.361 . 1 42 2074 16 THR H H 7.887 . 1 43 2074 16 THR C C 176.121 . 1 44 2074 16 THR CA C 65.521 . 1 45 2074 16 THR N N 115.106 . 1 46 2075 17 LEU H H 8.02 . 1 47 2075 17 LEU C C 177.198 . 1 48 2075 17 LEU CA C 56.586 . 1 49 2075 17 LEU N N 121.101 . 1 50 2076 18 LYS H H 7.595 . 1 51 2076 18 LYS C C 176.757 . 1 52 2076 18 LYS CA C 56.789 . 1 53 2076 18 LYS N N 117.675 . 1 54 2077 19 SER H H 7.671 . 1 55 2077 19 SER C C 176.753 . 1 56 2077 19 SER CA C 56.899 . 1 57 2077 19 SER N N 116.134 . 1 58 2078 20 PRO C C 176.994 . 1 59 2078 20 PRO CA C 63.417 . 1 60 2079 21 SER H H 8.441 . 1 61 2079 21 SER C C 174.386 . 1 62 2079 21 SER CA C 58.815 . 1 63 2079 21 SER N N 116.305 . 1 64 2081 23 PRO C C 178.939 . 1 65 2081 23 PRO CA C 65.317 . 1 66 2082 24 GLN H H 8.308 . 1 67 2082 24 GLN C C 178.115 . 1 68 2082 24 GLN CA C 58.931 . 1 69 2082 24 GLN N N 117.333 . 1 70 2083 25 GLN H H 7.969 . 1 71 2083 25 GLN C C 178.039 . 1 72 2083 25 GLN CA C 58.835 . 1 73 2083 25 GLN N N 121.958 . 1 74 2084 26 GLN H H 8.231 . 1 75 2084 26 GLN C C 177.98 . 1 76 2084 26 GLN CA C 59.093 . 1 77 2084 26 GLN N N 118.874 . 1 78 2085 27 GLN H H 8.031 . 1 79 2085 27 GLN C C 177.847 . 1 80 2085 27 GLN CA C 58.289 . 1 81 2085 27 GLN N N 118.189 . 1 82 2086 28 GLN H H 7.966 . 1 83 2086 28 GLN C C 178.667 . 1 84 2086 28 GLN CA C 58.837 . 1 85 2086 28 GLN N N 119.388 . 1 86 2087 29 VAL H H 7.968 . 1 87 2087 29 VAL C C 177.395 . 1 88 2087 29 VAL CA C 66.631 . 1 89 2087 29 VAL N N 119.388 . 1 90 2088 30 LEU H H 7.975 . 1 91 2088 30 LEU C C 178.783 . 1 92 2088 30 LEU CA C 58.017 . 1 93 2088 30 LEU N N 119.56 . 1 94 2089 31 ASN H H 8.225 . 1 95 2089 31 ASN C C 178.25 . 1 96 2089 31 ASN CA C 55.821 . 1 97 2089 31 ASN N N 117.333 . 1 98 2090 32 ILE H H 7.927 . 1 99 2090 32 ILE C C 178.499 . 1 100 2090 32 ILE CA C 64.805 . 1 101 2090 32 ILE N N 121.958 . 1 102 2091 33 LEU H H 8.088 . 1 103 2091 33 LEU C C 178.482 . 1 104 2091 33 LEU CA C 57.67 . 1 105 2091 33 LEU N N 120.245 . 1 106 2092 34 LYS H H 8.177 . 1 107 2092 34 LYS C C 178.04 . 1 108 2092 34 LYS CA C 58.696 . 1 109 2092 34 LYS N N 116.819 . 1 110 2093 35 SER H H 8.87 . 1 111 2093 35 SER C C 173.631 . 1 112 2093 35 SER CA C 59.421 . 1 113 2093 35 SER N N 112.023 . 1 114 2094 36 ASN H H 8.949 . 1 115 2094 36 ASN C C 172.183 . 1 116 2094 36 ASN CA C 51.391 . 1 117 2094 36 ASN N N 118.703 . 1 118 2095 37 PRO C C 178.842 . 1 119 2095 37 PRO CA C 65.171 . 1 120 2096 38 GLN H H 8.71 . 1 121 2096 38 GLN C C 178.421 . 1 122 2096 38 GLN CA C 58.508 . 1 123 2096 38 GLN N N 118.361 . 1 124 2097 39 LEU H H 7.868 . 1 125 2097 39 LEU C C 178.212 . 1 126 2097 39 LEU CA C 56.829 . 1 127 2097 39 LEU N N 121.101 . 1 128 2098 40 MET H H 7.963 . 1 129 2098 40 MET C C 177.55 . 1 130 2098 40 MET CA C 58.204 . 1 131 2098 40 MET N N 117.847 . 1 132 2099 41 ALA H H 7.946 . 1 133 2099 41 ALA C C 179.449 . 1 134 2099 41 ALA CA C 54.906 . 1 135 2099 41 ALA N N 120.073 . 1 136 2100 42 ALA H H 7.63 . 1 137 2100 42 ALA C C 179.215 . 1 138 2100 42 ALA CA C 54.387 . 1 139 2100 42 ALA N N 119.731 . 1 140 2101 43 PHE H H 8.136 . 1 141 2101 43 PHE C C 176.947 . 1 142 2101 43 PHE CA C 60.061 . 1 143 2101 43 PHE N N 118.361 . 1 144 2102 44 ILE H H 8.12 . 1 145 2102 44 ILE C C 177.524 . 1 146 2102 44 ILE CA C 63.124 . 1 147 2102 44 ILE N N 118.361 . 1 148 2103 45 LYS H H 7.899 . 1 149 2103 45 LYS C C 177.443 . 1 150 2103 45 LYS CA C 57.975 . 1 151 2103 45 LYS N N 121.444 . 1 152 2104 46 GLN H H 7.928 . 1 153 2104 46 GLN C C 176.705 . 1 154 2104 46 GLN CA C 56.841 . 1 155 2104 46 GLN N N 118.874 . 1 156 2106 48 THR H H 7.937 . 1 157 2106 48 THR C C 174.46 . 1 158 2106 48 THR CA C 62.353 . 1 159 2106 48 THR N N 113.393 . 1 160 2107 49 ALA H H 8.022 . 1 161 2107 49 ALA C C 177.614 . 1 162 2107 49 ALA CA C 52.999 . 1 163 2107 49 ALA N N 125.726 . 1 164 2108 50 LYS H H 8.059 . 1 165 2108 50 LYS C C 176.197 . 1 166 2108 50 LYS CA C 56.579 . 1 167 2108 50 LYS N N 119.388 . 1 168 2109 51 TYR H H 8.039 . 1 169 2109 51 TYR C C 175.508 . 1 170 2109 51 TYR CA C 58.117 . 1 171 2109 51 TYR N N 121.101 . 1 172 2110 52 VAL H H 7.866 . 1 173 2110 52 VAL C C 175.241 . 1 174 2110 52 VAL CA C 62.018 . 1 175 2110 52 VAL N N 122.643 . 1 176 2111 53 ALA H H 8.15 . 1 177 2111 53 ALA C C 177.3 . 1 178 2111 53 ALA CA C 52.616 . 1 179 2111 53 ALA N N 126.753 . 1 180 2112 54 ASN H H 8.249 . 1 181 2112 54 ASN C C 174.71 . 1 182 2112 54 ASN CA C 53.288 . 1 183 2112 54 ASN N N 117.162 . 1 184 2113 55 GLN H H 8.102 . 1 185 2113 55 GLN C C 173.837 . 1 186 2113 55 GLN CA C 53.687 . 1 187 2113 55 GLN N N 120.93 . 1 188 2114 56 PRO C C 177.498 . 1 189 2114 56 PRO CA C 63.635 . 1 190 2115 57 GLY H H 8.492 . 1 191 2115 57 GLY C C 174.208 . 1 192 2115 57 GLY CA C 45.406 . 1 193 2115 57 GLY N N 109.283 . 1 194 2116 58 MET H H 8.027 . 1 195 2116 58 MET C C 175.315 . 1 196 2116 58 MET CA C 55.482 . 1 197 2116 58 MET N N 119.731 . 1 198 2117 59 GLN H H 7.936 . 1 199 2117 59 GLN C C 180.392 . 1 200 2117 59 GLN CA C 57.499 . 1 201 2117 59 GLN N N 126.068 . 1 stop_ save_