data_11585 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for c-Myb R2R3 V103L/C130I ; _BMRB_accession_number 11585 _BMRB_flat_file_name bmr11585.str _Entry_type original _Submission_date 2014-11-28 _Accession_date 2014-11-28 _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 Inaba Satomi . . 2 Ikegami Takahisa . . 3 Oda Masayuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 84 "13C chemical shifts" 70 "15N chemical shifts" 84 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-09 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 11584 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for c-Myb R2R3 C130I' stop_ _Original_release_date 2015-12-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular strategy of c-Myb DNA-binding domain for function: Low-populated unfolding species revealed from temperature-dependent (NMR) studies ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Inaba Satomi . . 2 Maeno Akihiro . . 3 Sakurai Kazumasa . . 4 Puthenpurackal Sunilkumar Narayanan . 5 Ikegami Takahisa . . 6 Akasaka Kazuyuki . . 7 Oda Masayuki . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'c-Myb R2R3 V103L/C130I' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'c-Myb R2R3 V103L/C130I' $c-Myb_R2R3_V103L-C130I 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_c-Myb_R2R3_V103L-C130I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'c-Myb R2R3 V103L/C130I' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 104 _Mol_residue_sequence ; LIKGPWTKEEDQRLIKLVQK YGPKRWSVIAKHLKGRIGKQ IRERWHNHLNPEVKKTSWTE EEDRIIYQAHKRLGNRWAEI AKLLPGRTDNAIKNHWNSTM RRKV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 90 LEU 2 91 ILE 3 92 LYS 4 93 GLY 5 94 PRO 6 95 TRP 7 96 THR 8 97 LYS 9 98 GLU 10 99 GLU 11 100 ASP 12 101 GLN 13 102 ARG 14 103 LEU 15 104 ILE 16 105 LYS 17 106 LEU 18 107 VAL 19 108 GLN 20 109 LYS 21 110 TYR 22 111 GLY 23 112 PRO 24 113 LYS 25 114 ARG 26 115 TRP 27 116 SER 28 117 VAL 29 118 ILE 30 119 ALA 31 120 LYS 32 121 HIS 33 122 LEU 34 123 LYS 35 124 GLY 36 125 ARG 37 126 ILE 38 127 GLY 39 128 LYS 40 129 GLN 41 130 ILE 42 131 ARG 43 132 GLU 44 133 ARG 45 134 TRP 46 135 HIS 47 136 ASN 48 137 HIS 49 138 LEU 50 139 ASN 51 140 PRO 52 141 GLU 53 142 VAL 54 143 LYS 55 144 LYS 56 145 THR 57 146 SER 58 147 TRP 59 148 THR 60 149 GLU 61 150 GLU 62 151 GLU 63 152 ASP 64 153 ARG 65 154 ILE 66 155 ILE 67 156 TYR 68 157 GLN 69 158 ALA 70 159 HIS 71 160 LYS 72 161 ARG 73 162 LEU 74 163 GLY 75 164 ASN 76 165 ARG 77 166 TRP 78 167 ALA 79 168 GLU 80 169 ILE 81 170 ALA 82 171 LYS 83 172 LEU 84 173 LEU 85 174 PRO 86 175 GLY 87 176 ARG 88 177 THR 89 178 ASP 90 179 ASN 91 180 ALA 92 181 ILE 93 182 LYS 94 183 ASN 95 184 HIS 96 185 TRP 97 186 ASN 98 187 SER 99 188 THR 100 189 MET 101 190 ARG 102 191 ARG 103 192 LYS 104 193 VAL 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 _Variant $c-Myb_R2R3_V103L-C130I Mouse 10090 Eukaryota Metazoa Mus musculus 'V103L mutant' 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 $c-Myb_R2R3_V103L-C130I 'recombinant technology' . Escherichia coli . pAR 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 $c-Myb_R2R3_V103L-C130I 1.0 mM '[U-99% 15N]' TRIS 25 mM 'natural abundance' 'potassium chloride' 20 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % U-2H stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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' 45 . mM pH 7.5 . pH pressure 1 . atm temperature 293 . 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 HNCA' 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 'c-Myb R2R3 V103L/C130I' _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 90 1 LEU H H 8.322 0.01 1 2 90 1 LEU CA C 54.842 0.25 1 3 90 1 LEU N N 124.194 0.1 1 4 91 2 ILE H H 8.582 0.01 1 5 91 2 ILE CA C 61.235 0.25 1 6 91 2 ILE N N 124.185 0.1 1 7 92 3 LYS H H 8.578 0.01 1 8 92 3 LYS CA C 56.063 0.25 1 9 92 3 LYS N N 126.14 0.1 1 10 93 4 GLY H H 7.964 0.01 1 11 93 4 GLY CA C 44.499 0.25 1 12 93 4 GLY N N 109.12 0.1 1 13 94 5 PRO CA C 62.841 0.25 1 14 95 6 TRP H H 8.587 0.01 1 15 95 6 TRP CA C 58.417 0.25 1 16 95 6 TRP N N 123.291 0.1 1 17 96 7 THR H H 8.38 0.01 1 18 96 7 THR N N 115.989 0.1 1 19 97 8 LYS H H 8.867 0.01 1 20 97 8 LYS N N 121.611 0.1 1 21 98 9 GLU H H 8.671 0.01 1 22 98 9 GLU CA C 60.149 0.25 1 23 98 9 GLU N N 118.512 0.1 1 24 99 10 GLU H H 7.855 0.01 1 25 99 10 GLU CA C 60.263 0.25 1 26 99 10 GLU N N 122.394 0.1 1 27 100 11 ASP H H 8.531 0.01 1 28 100 11 ASP CA C 57.659 0.25 1 29 100 11 ASP N N 120.49 0.1 1 30 101 12 GLN H H 8.257 0.01 1 31 101 12 GLN CA C 58.905 0.25 1 32 101 12 GLN N N 116.81 0.1 1 33 102 13 ARG H H 8.092 0.01 1 34 102 13 ARG CA C 59.726 0.25 1 35 102 13 ARG N N 120.581 0.1 1 36 103 14 LEU H H 8.881 0.01 1 37 103 14 LEU CA C 59.095 0.25 1 38 103 14 LEU N N 121.47 0.1 1 39 104 15 ILE H H 8.55 0.01 1 40 104 15 ILE CA C 66.601 0.25 1 41 104 15 ILE N N 119.394 0.1 1 42 106 17 LEU H H 8.507 0.01 1 43 106 17 LEU CA C 58.069 0.25 1 44 106 17 LEU N N 122.064 0.1 1 45 107 18 VAL H H 8.642 0.01 1 46 107 18 VAL N N 121.675 0.1 1 47 108 19 GLN H H 7.895 0.01 1 48 108 19 GLN CA C 59.108 0.25 1 49 108 19 GLN N N 120.494 0.1 1 50 109 20 LYS H H 7.383 0.01 1 51 109 20 LYS CA C 58.915 0.25 1 52 109 20 LYS N N 117.94 0.1 1 53 110 21 TYR H H 8.503 0.01 1 54 110 21 TYR CA C 59.734 0.25 1 55 110 21 TYR N N 115.087 0.1 1 56 111 22 GLY H H 8.112 0.01 1 57 111 22 GLY CA C 44.374 0.25 1 58 111 22 GLY N N 110.568 0.1 1 59 115 26 TRP H H 7.166 0.01 1 60 115 26 TRP CA C 59.778 0.25 1 61 115 26 TRP N N 120.748 0.1 1 62 117 28 VAL H H 7.236 0.01 1 63 117 28 VAL CA C 65.553 0.25 1 64 117 28 VAL N N 123.748 0.1 1 65 118 29 ILE H H 7.44 0.01 1 66 118 29 ILE CA C 66.335 0.25 1 67 118 29 ILE N N 120.016 0.1 1 68 119 30 ALA H H 8.352 0.01 1 69 119 30 ALA CA C 55.077 0.25 1 70 119 30 ALA N N 119.072 0.1 1 71 120 31 LYS H H 7.224 0.01 1 72 120 31 LYS CA C 58.362 0.25 1 73 120 31 LYS N N 116.024 0.1 1 74 121 32 HIS H H 7.578 0.01 1 75 121 32 HIS CA C 57.182 0.25 1 76 121 32 HIS N N 115.531 0.1 1 77 122 33 LEU H H 7.711 0.01 1 78 122 33 LEU CA C 53.879 0.25 1 79 122 33 LEU N N 125.443 0.1 1 80 123 34 LYS H H 7.681 0.01 1 81 123 34 LYS CA C 58.001 0.25 1 82 123 34 LYS N N 118.414 0.1 1 83 124 35 GLY H H 8.683 0.01 1 84 124 35 GLY CA C 45.498 0.25 1 85 124 35 GLY N N 110.713 0.1 1 86 125 36 ARG H H 7.64 0.01 1 87 125 36 ARG CA C 52.454 0.25 1 88 125 36 ARG N N 117.084 0.1 1 89 126 37 ILE H H 8.376 0.01 1 90 126 37 ILE CA C 60.08 0.25 1 91 126 37 ILE N N 116.411 0.1 1 92 127 38 GLY H H 9.204 0.01 1 93 127 38 GLY N N 112.275 0.1 1 94 129 40 GLN H H 7.133 0.01 1 95 129 40 GLN CA C 58.167 0.25 1 96 129 40 GLN N N 115.964 0.1 1 97 130 41 ILE H H 8.04 0.01 1 98 130 41 ILE N N 122.229 0.1 1 99 131 42 ARG H H 7.879 0.01 1 100 131 42 ARG CA C 58.934 0.25 1 101 131 42 ARG N N 119.58 0.1 1 102 132 43 GLU H H 7.416 0.01 1 103 132 43 GLU CA C 59.309 0.25 1 104 132 43 GLU N N 116.658 0.1 1 105 133 44 ARG H H 7.764 0.01 1 106 133 44 ARG CA C 57.907 0.25 1 107 133 44 ARG N N 120.834 0.1 1 108 141 52 GLU H H 7.73 0.01 1 109 141 52 GLU CA C 57.078 0.25 1 110 141 52 GLU N N 117.843 0.1 1 111 142 53 VAL H H 7.667 0.01 1 112 142 53 VAL N N 119.811 0.1 1 113 143 54 LYS H H 8.13 0.01 1 114 143 54 LYS CA C 56.359 0.25 1 115 143 54 LYS N N 124.448 0.1 1 116 144 55 LYS H H 8.266 0.01 1 117 144 55 LYS CA C 56.37 0.25 1 118 144 55 LYS N N 122.512 0.1 1 119 147 58 TRP H H 8.368 0.01 1 120 147 58 TRP CA C 56.6 0.25 1 121 147 58 TRP N N 125.169 0.1 1 122 148 59 THR H H 9.42 0.01 1 123 148 59 THR CA C 60.525 0.25 1 124 148 59 THR N N 117.337 0.1 1 125 149 60 GLU H H 8.972 0.01 1 126 149 60 GLU CA C 59.743 0.25 1 127 149 60 GLU N N 120.623 0.1 1 128 150 61 GLU H H 8.394 0.01 1 129 150 61 GLU CA C 59.651 0.25 1 130 150 61 GLU N N 119.396 0.1 1 131 151 62 GLU H H 8.005 0.01 1 132 151 62 GLU CA C 60.454 0.25 1 133 151 62 GLU N N 119.859 0.1 1 134 152 63 ASP H H 8.352 0.01 1 135 152 63 ASP CA C 57.876 0.25 1 136 152 63 ASP N N 119.284 0.1 1 137 153 64 ARG H H 8.201 0.01 1 138 153 64 ARG CA C 60.224 0.25 1 139 153 64 ARG N N 120.848 0.1 1 140 154 65 ILE H H 8.224 0.01 1 141 154 65 ILE CA C 65.566 0.25 1 142 154 65 ILE N N 121.05 0.1 1 143 155 66 ILE H H 8.677 0.01 1 144 155 66 ILE CA C 66.733 0.25 1 145 155 66 ILE N N 120.213 0.1 1 146 156 67 TYR H H 8.814 0.01 1 147 156 67 TYR CA C 62.606 0.25 1 148 156 67 TYR N N 119.372 0.1 1 149 157 68 GLN H H 8.412 0.01 1 150 157 68 GLN CA C 58.702 0.25 1 151 157 68 GLN N N 116.998 0.1 1 152 158 69 ALA H H 8.682 0.01 1 153 158 69 ALA CA C 54.88 0.25 1 154 158 69 ALA N N 122.373 0.1 1 155 159 70 HIS H H 9.235 0.01 1 156 159 70 HIS CA C 60.58 0.25 1 157 159 70 HIS N N 120.005 0.1 1 158 160 71 LYS H H 7.604 0.01 1 159 160 71 LYS CA C 59.22 0.25 1 160 160 71 LYS N N 119.046 0.1 1 161 161 72 ARG H H 7.014 0.01 1 162 161 72 ARG CA C 57.983 0.25 1 163 161 72 ARG N N 115.279 0.1 1 164 162 73 LEU H H 8.667 0.01 1 165 162 73 LEU CA C 55.118 0.25 1 166 162 73 LEU N N 117.426 0.1 1 167 163 74 GLY H H 8.126 0.01 1 168 163 74 GLY CA C 44.36 0.25 1 169 163 74 GLY N N 110.486 0.1 1 170 164 75 ASN H H 7.825 0.01 1 171 164 75 ASN N N 120.082 0.1 1 172 165 76 ARG H H 7.247 0.01 1 173 165 76 ARG CA C 53.749 0.25 1 174 165 76 ARG N N 123.735 0.1 1 175 166 77 TRP H H 6.986 0.01 1 176 166 77 TRP CA C 59.836 0.25 1 177 166 77 TRP N N 122.089 0.1 1 178 167 78 ALA H H 8.818 0.01 1 179 167 78 ALA N N 119.372 0.1 1 180 168 79 GLU H H 7.457 0.01 1 181 168 79 GLU CA C 58.445 0.25 1 182 168 79 GLU N N 117.2 0.1 1 183 169 80 ILE H H 7.889 0.01 1 184 169 80 ILE N N 121.242 0.1 1 185 170 81 ALA H H 8.329 0.01 1 186 170 81 ALA N N 120.125 0.1 1 187 171 82 LYS H H 6.987 0.01 1 188 171 82 LYS CA C 58.861 0.25 1 189 171 82 LYS N N 115.223 0.1 1 190 172 83 LEU H H 7.784 0.01 1 191 172 83 LEU CA C 54.761 0.25 1 192 172 83 LEU N N 116.238 0.1 1 193 173 84 LEU H H 7.349 0.01 1 194 173 84 LEU N N 120.359 0.1 1 195 175 86 GLY H H 8.772 0.01 1 196 175 86 GLY CA C 45.252 0.25 1 197 175 86 GLY N N 111.578 0.1 1 198 176 87 ARG H H 8.043 0.01 1 199 176 87 ARG CA C 52.331 0.25 1 200 176 87 ARG N N 118.364 0.1 1 201 177 88 THR H H 7.935 0.01 1 202 177 88 THR CA C 59.975 0.25 1 203 177 88 THR N N 111.04 0.1 1 204 178 89 ASP H H 8.995 0.01 1 205 178 89 ASP CA C 57.554 0.25 1 206 178 89 ASP N N 120.453 0.1 1 207 179 90 ASN H H 8.818 0.01 1 208 179 90 ASN CA C 56.192 0.25 1 209 179 90 ASN N N 118.886 0.1 1 210 180 91 ALA H H 8.067 0.01 1 211 180 91 ALA CA C 55.275 0.25 1 212 180 91 ALA N N 122.897 0.1 1 213 181 92 ILE H H 8.339 0.01 1 214 181 92 ILE N N 119.975 0.1 1 215 183 94 ASN H H 8.014 0.01 1 216 183 94 ASN CA C 55.911 0.25 1 217 183 94 ASN N N 115.523 0.1 1 218 184 95 HIS H H 8.036 0.01 1 219 184 95 HIS N N 122.094 0.1 1 220 185 96 TRP H H 8.927 0.01 1 221 185 96 TRP CA C 60.696 0.25 1 222 185 96 TRP N N 122.523 0.1 1 223 186 97 ASN H H 8.175 0.01 1 224 186 97 ASN N N 114.549 0.1 1 225 187 98 SER H H 7.899 0.01 1 226 187 98 SER CA C 60.288 0.25 1 227 187 98 SER N N 112.522 0.1 1 228 189 100 MET H H 7.587 0.01 1 229 189 100 MET CA C 56.985 0.25 1 230 189 100 MET N N 120.564 0.1 1 231 190 101 ARG H H 7.559 0.01 1 232 190 101 ARG N N 120.275 0.1 1 233 192 103 LYS H H 8.101 0.01 1 234 192 103 LYS CA C 56.348 0.25 1 235 192 103 LYS N N 123.101 0.1 1 236 193 104 VAL H H 7.648 0.01 1 237 193 104 VAL CA C 63.675 0.25 1 238 193 104 VAL N N 125.7 0.1 1 stop_ save_