data_27993 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MYB29 residues 118-178 chemical shifts ; _BMRB_accession_number 27993 _BMRB_flat_file_name bmr27993.str _Entry_type original _Submission_date 2019-08-02 _Accession_date 2019-08-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical shifts of MYB29 residues 118-178' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Millard Peter S. . 2 Marabini Riccardo . . 3 Kragelund Birthe B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 45 "13C chemical shifts" 151 "15N chemical shifts" 45 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-05 update BMRB 'update entry citation' 2019-10-29 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27992 'MYB28 residues 116-197' stop_ _Original_release_date 2019-08-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; IDDomainSpotter: Compositional bias reveals domains in long disordered protein regions - insights from transcription factors ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31642121 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Millard Peter S. . 2 Bugge Katrine . . 3 Marabini Riccardo . . 4 Boomsma Wouter K. . 5 Burow Meike . . 6 Kragelund Birthe B. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 29 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 169 _Page_last 183 _Year 2020 _Details . loop_ _Keyword 'DNA-binding domain' IDDomainSpotter IDPs NMR 'compositional bias' domain 'low-complexity regions' p53 'plant MYB protein' 'transactivation domain' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MYB29 residues 118-178' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MYB29 residues 118-178' $MYB29_residues_118-178 stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MYB29_residues_118-178 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MYB29_residues_118-178 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 61 _Mol_residue_sequence ; GSGIDPVTHKPLAYDSNPDE QSQSGSISPKSLPPSSSKNV PEITSSDETPKYDASLSSKK R ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 118 GLY 2 119 SER 3 120 GLY 4 121 ILE 5 122 ASP 6 123 PRO 7 124 VAL 8 125 THR 9 126 HIS 10 127 LYS 11 128 PRO 12 129 LEU 13 130 ALA 14 131 TYR 15 132 ASP 16 133 SER 17 134 ASN 18 135 PRO 19 136 ASP 20 137 GLU 21 138 GLN 22 139 SER 23 140 GLN 24 141 SER 25 142 GLY 26 143 SER 27 144 ILE 28 145 SER 29 146 PRO 30 147 LYS 31 148 SER 32 149 LEU 33 150 PRO 34 151 PRO 35 152 SER 36 153 SER 37 154 SER 38 155 LYS 39 156 ASN 40 157 VAL 41 158 PRO 42 159 GLU 43 160 ILE 44 161 THR 45 162 SER 46 163 SER 47 164 ASP 48 165 GLU 49 166 THR 50 167 PRO 51 168 LYS 52 169 TYR 53 170 ASP 54 171 ALA 55 172 SER 56 173 LEU 57 174 SER 58 175 SER 59 176 LYS 60 177 LYS 61 178 ARG 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 _Gene_mnemonic $MYB29_residues_118-178 'Thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana AT5G07690 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 $MYB29_residues_118-178 'recombinant technology' . Escherichia coli . pGEX-4T-1 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 DSS 1 mM 'natural abundance' TCEP 100 uM 'natural abundance' 'sodium azide' 0.03 '% v/v' 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' $MYB29_residues_118-178 225 uM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ 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_ save_CcpNmr _Saveframe_category software _Name CcpNmr _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 'Avance III' _Field_strength 800 _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_ save_3D_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _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 pH 7.0 . pH pressure 1 . atm temperature 273 . 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' '3D HN(CA)CO' '3D HNCB' '3D HNCO' '3D HN(CO)CA' '3D HN(CO)CACB' 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 'MYB29 residues 118-178' _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 1 120 3 GLY H H 8.760 0.000 1 2 120 3 GLY C C 172.649 0.000 1 3 120 3 GLY CA C 45.223 0.000 1 4 120 3 GLY N N 111.287 0.007 1 5 121 4 ILE H H 8.200 0.001 1 6 121 4 ILE C C 174.991 0.000 1 7 121 4 ILE CA C 59.848 0.000 1 8 121 4 ILE CB C 39.392 0.000 1 9 121 4 ILE N N 120.041 0.008 1 10 122 5 ASP H H 8.704 0.001 1 11 122 5 ASP C C 174.022 0.000 1 12 122 5 ASP CA C 52.422 0.000 1 13 122 5 ASP CB C 41.716 0.000 1 14 122 5 ASP N N 128.572 0.019 1 15 128 11 PRO C C 175.988 0.000 1 16 128 11 PRO CA C 63.015 0.000 1 17 128 11 PRO CB C 32.096 0.000 1 18 129 12 LEU H H 8.387 0.001 1 19 129 12 LEU C C 175.997 0.000 1 20 129 12 LEU CA C 55.117 0.000 1 21 129 12 LEU CB C 42.394 0.000 1 22 129 12 LEU N N 123.714 0.009 1 23 130 13 ALA H H 8.411 0.001 1 24 130 13 ALA C C 176.191 0.000 1 25 130 13 ALA CA C 52.084 0.000 1 26 130 13 ALA CB C 19.510 0.000 1 27 130 13 ALA N N 124.780 0.008 1 28 131 14 TYR H H 8.247 0.001 1 29 131 14 TYR C C 174.385 0.000 1 30 131 14 TYR CA C 57.757 0.000 1 31 131 14 TYR CB C 38.900 0.000 1 32 131 14 TYR N N 119.794 0.007 1 33 132 15 ASP H H 8.394 0.001 1 34 132 15 ASP C C 174.827 0.000 1 35 132 15 ASP CA C 53.917 0.000 1 36 132 15 ASP CB C 41.152 0.000 1 37 132 15 ASP N N 122.395 0.026 1 38 133 16 SER H H 8.200 0.001 1 39 133 16 SER C C 172.937 0.000 1 40 133 16 SER CA C 58.339 0.000 1 41 133 16 SER CB C 63.811 0.000 1 42 133 16 SER N N 116.330 0.009 1 43 134 17 ASN H H 8.670 0.001 1 44 134 17 ASN C C 172.665 0.000 1 45 134 17 ASN CA C 51.400 0.000 1 46 134 17 ASN CB C 38.836 0.000 1 47 134 17 ASN N N 121.838 0.009 1 48 135 18 PRO C C 176.038 0.000 1 49 135 18 PRO CA C 63.791 0.000 1 50 135 18 PRO CB C 32.107 0.000 1 51 136 19 ASP H H 8.396 0.001 1 52 136 19 ASP C C 175.660 0.000 1 53 136 19 ASP CA C 54.621 0.000 1 54 136 19 ASP CB C 40.895 0.000 1 55 136 19 ASP N N 119.623 0.009 1 56 137 20 GLU H H 8.238 0.001 1 57 137 20 GLU C C 175.958 0.000 1 58 137 20 GLU CA C 57.011 0.000 1 59 137 20 GLU CB C 30.171 0.000 1 60 137 20 GLU N N 121.429 0.007 1 61 138 21 GLN H H 8.469 0.001 1 62 138 21 GLN C C 175.570 0.000 1 63 138 21 GLN CA C 56.139 0.000 1 64 138 21 GLN CB C 29.137 0.000 1 65 138 21 GLN N N 120.824 0.008 1 66 139 22 SER H H 8.438 0.000 1 67 139 22 SER C C 174.057 0.000 1 68 139 22 SER CA C 58.802 0.000 1 69 139 22 SER CB C 63.609 0.000 1 70 139 22 SER N N 116.956 0.009 1 71 140 23 GLN H H 8.571 0.001 1 72 140 23 GLN C C 175.427 0.000 1 73 140 23 GLN CA C 55.938 0.000 1 74 140 23 GLN CB C 29.185 0.000 1 75 140 23 GLN N N 122.357 0.008 1 76 141 24 SER H H 8.487 0.001 1 77 141 24 SER C C 174.291 0.000 1 78 141 24 SER CA C 58.841 0.000 1 79 141 24 SER CB C 63.679 0.000 1 80 141 24 SER N N 117.002 0.012 1 81 142 25 GLY H H 8.564 0.000 1 82 142 25 GLY C C 173.183 0.000 1 83 142 25 GLY CA C 45.292 0.000 1 84 142 25 GLY N N 111.338 0.006 1 85 143 26 SER H H 8.279 0.000 1 86 143 26 SER C C 173.476 0.000 1 87 143 26 SER CA C 58.269 0.000 1 88 143 26 SER CB C 63.837 0.000 1 89 143 26 SER N N 115.863 0.013 1 90 144 27 ILE H H 8.371 0.001 1 91 144 27 ILE C C 175.359 0.000 1 92 144 27 ILE CA C 60.873 0.000 1 93 144 27 ILE CB C 38.770 0.000 1 94 144 27 ILE N N 122.907 0.013 1 95 145 28 SER H H 8.606 0.001 1 96 145 28 SER C C 171.496 0.000 1 97 145 28 SER CA C 56.496 0.000 1 98 145 28 SER CB C 63.096 0.000 1 99 145 28 SER N N 122.581 0.012 1 100 148 31 SER C C 178.710 0.000 1 101 148 31 SER CA C 57.436 0.000 1 102 148 31 SER CB C 63.670 0.000 1 103 149 32 LEU H H 8.764 0.002 1 104 149 32 LEU C C 173.880 0.000 1 105 149 32 LEU CA C 53.242 0.000 1 106 149 32 LEU CB C 41.506 0.000 1 107 149 32 LEU N N 124.230 0.017 1 108 151 34 PRO C C 176.173 0.000 1 109 151 34 PRO CA C 62.983 0.000 1 110 151 34 PRO CB C 32.060 0.000 1 111 152 35 SER H H 8.640 0.001 1 112 152 35 SER C C 173.924 0.000 1 113 152 35 SER CA C 58.432 0.000 1 114 152 35 SER CB C 63.707 0.000 1 115 152 35 SER N N 116.503 0.008 1 116 153 36 SER H H 8.570 0.001 1 117 153 36 SER C C 173.754 0.000 1 118 153 36 SER CA C 58.384 0.000 1 119 153 36 SER CB C 63.817 0.000 1 120 153 36 SER N N 118.268 0.009 1 121 154 37 SER H H 8.525 0.001 1 122 154 37 SER C C 173.529 0.000 1 123 154 37 SER CA C 58.503 0.000 1 124 154 37 SER CB C 63.746 0.000 1 125 154 37 SER N N 118.419 0.010 1 126 155 38 LYS H H 8.441 0.001 1 127 155 38 LYS C C 175.266 0.000 1 128 155 38 LYS CA C 56.225 0.000 1 129 155 38 LYS CB C 32.938 0.000 1 130 155 38 LYS N N 123.127 0.015 1 131 156 39 ASN H H 8.523 0.000 1 132 156 39 ASN C C 173.776 0.000 1 133 156 39 ASN CA C 53.290 0.000 1 134 156 39 ASN CB C 38.841 0.000 1 135 156 39 ASN N N 120.099 0.008 1 136 157 40 VAL H H 8.270 0.001 1 137 157 40 VAL C C 173.332 0.000 1 138 157 40 VAL CA C 59.908 0.000 1 139 157 40 VAL CB C 32.557 0.000 1 140 157 40 VAL N N 122.430 0.010 1 141 158 41 PRO C C 175.775 0.000 1 142 158 41 PRO CA C 63.143 0.000 1 143 158 41 PRO CB C 32.210 0.000 1 144 159 42 GLU H H 8.645 0.001 1 145 159 42 GLU C C 175.561 0.000 1 146 159 42 GLU CA C 56.434 0.000 1 147 159 42 GLU CB C 30.384 0.000 1 148 159 42 GLU N N 121.962 0.010 1 149 160 43 ILE H H 8.504 0.001 1 150 160 43 ILE C C 175.550 0.000 1 151 160 43 ILE CA C 61.012 0.000 1 152 160 43 ILE CB C 38.673 0.000 1 153 160 43 ILE N N 123.493 0.008 1 154 161 44 THR H H 8.506 0.000 1 155 161 44 THR C C 173.488 0.000 1 156 161 44 THR CA C 61.570 0.000 1 157 161 44 THR CB C 70.053 0.000 1 158 161 44 THR N N 119.711 0.012 1 159 162 45 SER H H 8.591 0.001 1 160 162 45 SER C C 173.712 0.000 1 161 162 45 SER CA C 58.208 0.000 1 162 162 45 SER CB C 63.912 0.000 1 163 162 45 SER N N 118.924 0.008 1 164 163 46 SER H H 8.632 0.001 1 165 163 46 SER C C 173.357 0.000 1 166 163 46 SER CA C 58.371 0.000 1 167 163 46 SER CB C 63.815 0.000 1 168 163 46 SER N N 118.534 0.010 1 169 164 47 ASP H H 8.464 0.000 1 170 164 47 ASP C C 175.252 0.000 1 171 164 47 ASP CA C 54.507 0.000 1 172 164 47 ASP CB C 41.053 0.000 1 173 164 47 ASP N N 122.579 0.011 1 174 165 48 GLU H H 8.436 0.001 1 175 165 48 GLU C C 175.570 0.000 1 176 165 48 GLU CA C 56.282 0.000 1 177 165 48 GLU CB C 30.320 0.000 1 178 165 48 GLU N N 121.433 0.010 1 179 166 49 THR H H 8.395 0.001 1 180 166 49 THR C C 171.784 0.000 1 181 166 49 THR CA C 60.546 0.000 1 182 166 49 THR CB C 69.560 0.000 1 183 166 49 THR N N 119.342 0.009 1 184 167 50 PRO C C 175.717 0.000 1 185 167 50 PRO CA C 63.171 0.000 1 186 167 50 PRO CB C 32.183 0.000 1 187 168 51 LYS H H 8.562 0.001 1 188 168 51 LYS C C 175.427 0.000 1 189 168 51 LYS CA C 55.927 0.000 1 190 168 51 LYS CB C 33.096 0.000 1 191 168 51 LYS N N 122.359 0.008 1 192 169 52 TYR H H 8.399 0.001 1 193 169 52 TYR C C 174.067 0.000 1 194 169 52 TYR CA C 57.837 0.000 1 195 169 52 TYR CB C 38.996 0.000 1 196 169 52 TYR N N 122.265 0.017 1 197 170 53 ASP H H 8.320 0.000 1 198 170 53 ASP C C 175.014 0.000 1 199 170 53 ASP CA C 53.393 0.000 1 200 170 53 ASP CB C 41.233 0.000 1 201 170 53 ASP N N 124.229 0.009 1 202 171 54 ALA H H 8.586 0.000 1 203 171 54 ALA C C 177.462 0.000 1 204 171 54 ALA CA C 53.323 0.000 1 205 171 54 ALA CB C 18.815 0.000 1 206 171 54 ALA N N 127.085 0.009 1 207 172 55 SER H H 8.510 0.001 1 208 172 55 SER C C 174.302 0.000 1 209 172 55 SER CA C 59.581 0.000 1 210 172 55 SER CB C 63.489 0.000 1 211 172 55 SER N N 114.770 0.011 1 212 173 56 LEU H H 7.947 0.000 1 213 173 56 LEU C C 176.977 0.000 1 214 173 56 LEU CA C 55.543 0.000 1 215 173 56 LEU CB C 41.963 0.000 1 216 173 56 LEU N N 123.097 0.010 1 217 174 57 SER H H 8.212 0.001 1 218 174 57 SER C C 173.893 0.000 1 219 174 57 SER CA C 58.712 0.000 1 220 174 57 SER CB C 63.653 0.000 1 221 174 57 SER N N 115.693 0.011 1 222 175 58 SER H H 8.360 0.000 1 223 175 58 SER C C 173.577 0.000 1 224 175 58 SER CA C 58.596 0.000 1 225 175 58 SER CB C 63.672 0.000 1 226 175 58 SER N N 118.024 0.008 1 227 176 59 LYS H H 8.293 0.001 1 228 176 59 LYS C C 175.451 0.000 1 229 176 59 LYS CA C 56.291 0.000 1 230 176 59 LYS CB C 32.977 0.000 1 231 176 59 LYS N N 123.396 0.010 1 232 177 60 LYS H H 8.444 0.001 1 233 177 60 LYS C C 174.771 0.000 1 234 177 60 LYS CA C 56.419 0.000 1 235 177 60 LYS CB C 32.927 0.000 1 236 177 60 LYS N N 123.991 0.010 1 237 178 61 ARG H H 8.188 0.000 1 238 178 61 ARG C C 172.163 0.000 1 239 178 61 ARG CA C 57.476 0.000 1 240 178 61 ARG CB C 31.405 0.000 1 241 178 61 ARG N N 128.527 0.005 1 stop_ save_