data_11567 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RPEL2 motif of MKL1 ; _BMRB_accession_number 11567 _BMRB_flat_file_name bmr11567.str _Entry_type original _Submission_date 2014-04-18 _Accession_date 2014-04-18 _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 Mizuguchi Mineyuki . . 2 Fuju Takahiro . . 3 Obita Takayuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 29 "13C chemical shifts" 60 "15N chemical shifts" 29 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-03-08 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 11564 'RPEL motif of MKL1' 11565 'L94P-RPEL1 motif of MKL1' 11566 'L105P-RPEL1 motif of MKL1' 11568 'RPEL3 motif of MKL1' stop_ _Original_release_date 2014-04-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Transient alpha-helices in the disordered RPEL motifs of the serum response factor coactivator MKL1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24909411 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mizuguchi Mineyuki . . 2 Fuju Takahiro . . 3 Obita Takayuki . . 4 Ishikawa Mitsuru . . 5 Tsuda Masaaki . . 6 Tabuchi Akiko . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_name_full 'Scientific reports' _Journal_volume 4 _Journal_issue . _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5224 _Page_last 5224 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'RPEL motif of rat MKL1 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RPEL2 $MKL1 stop_ _System_molecular_weight 4198.9 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MKL1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MKL1 _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function G-actin-binding stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 36 _Mol_residue_sequence ; GPHMRARTEDYLKRKIRSRP ERSELVRMHILEETSA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 HIS 4 -1 MET 5 129 ARG 6 130 ALA 7 131 ARG 8 132 THR 9 133 GLU 10 134 ASP 11 135 TYR 12 136 LEU 13 137 LYS 14 138 ARG 15 139 LYS 16 140 ILE 17 141 ARG 18 142 SER 19 143 ARG 20 144 PRO 21 145 GLU 22 146 ARG 23 147 SER 24 148 GLU 25 149 LEU 26 150 VAL 27 151 ARG 28 152 MET 29 153 HIS 30 154 ILE 31 155 LEU 32 156 GLU 33 157 GLU 34 158 THR 35 159 SER 36 160 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 GB BAN82605.1 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MKL1 Rat 10116 Eukaryota Metazoa Rattus norvegicus 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 $MKL1 'recombinant technology' . Escherichia coli . pOP3C 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MKL1 . mM 0.12 0.50 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 10 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' D2O 7 % . . '[U-100% 2H]' 'sodium azide' 1 mM . . 'natural abundance' DSS 20 uM . . 'natural abundance' H2O 93 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 8.0.3 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 Avance _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCANH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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 288 . 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 CBCA(CO)NH' '3D CBCANH' '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' 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 RPEL2 _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 1 129 5 ARG H H 8.523 0.03 . 2 129 5 ARG CA C 55.850 0.12 . 3 129 5 ARG CB C 30.884 0.12 . 4 129 5 ARG N N 123.176 0.15 . 5 130 6 ALA H H 8.458 0.03 . 6 130 6 ALA CA C 52.461 0.12 . 7 130 6 ALA CB C 19.055 0.12 . 8 130 6 ALA N N 125.806 0.15 . 9 131 7 ARG H H 8.514 0.03 . 10 131 7 ARG CA C 55.944 0.12 . 11 131 7 ARG CB C 30.869 0.12 . 12 131 7 ARG N N 121.003 0.15 . 13 132 8 THR H H 8.281 0.03 . 14 132 8 THR CA C 62.382 0.12 . 15 132 8 THR CB C 69.885 0.12 . 16 132 8 THR N N 115.818 0.15 . 17 133 9 GLU H H 8.706 0.03 . 18 133 9 GLU CA C 57.293 0.12 . 19 133 9 GLU CB C 29.987 0.12 . 20 133 9 GLU N N 122.429 0.15 . 21 134 10 ASP H H 8.303 0.03 . 22 134 10 ASP CA C 54.927 0.12 . 23 134 10 ASP CB C 40.886 0.12 . 24 134 10 ASP N N 120.932 0.15 . 25 135 11 TYR H H 8.080 0.03 . 26 135 11 TYR CA C 59.225 0.12 . 27 135 11 TYR CB C 38.354 0.12 . 28 135 11 TYR N N 120.670 0.15 . 29 136 12 LEU H H 7.980 0.03 . 30 136 12 LEU CA C 55.828 0.12 . 31 136 12 LEU CB C 41.932 0.12 . 32 136 12 LEU N N 121.358 0.15 . 33 137 13 LYS H H 7.957 0.03 . 34 137 13 LYS CA C 56.391 0.12 . 35 137 13 LYS CB C 32.586 0.12 . 36 137 13 LYS N N 120.395 0.15 . 37 138 14 ARG H H 7.999 0.03 . 38 138 14 ARG CA C 56.414 0.12 . 39 138 14 ARG CB C 30.854 0.12 . 40 138 14 ARG N N 120.701 0.15 . 41 139 15 LYS H H 8.366 0.03 . 42 139 15 LYS CA C 56.339 0.12 . 43 139 15 LYS CB C 32.921 0.12 . 44 139 15 LYS N N 123.047 0.15 . 45 140 16 ILE H H 8.283 0.03 . 46 140 16 ILE CA C 61.370 0.12 . 47 140 16 ILE CB C 38.587 0.12 . 48 140 16 ILE N N 123.208 0.15 . 49 141 17 ARG H H 7.994 0.03 . 50 141 17 ARG CA C 57.450 0.12 . 51 141 17 ARG CB C 31.460 0.12 . 52 141 17 ARG N N 129.640 0.15 . 53 144 20 PRO CA C 63.321 0.12 . 54 144 20 PRO CB C 31.934 0.12 . 55 145 21 GLU H H 8.723 0.03 . 56 145 21 GLU CA C 56.775 0.12 . 57 145 21 GLU CB C 30.263 0.12 . 58 145 21 GLU N N 121.841 0.15 . 59 146 22 ARG H H 8.511 0.03 . 60 146 22 ARG CA C 56.392 0.12 . 61 146 22 ARG CB C 30.475 0.12 . 62 146 22 ARG N N 122.054 0.15 . 63 147 23 SER H H 8.495 0.03 . 64 147 23 SER CA C 58.880 0.12 . 65 147 23 SER CB C 63.416 0.12 . 66 147 23 SER N N 117.291 0.15 . 67 148 24 GLU H H 8.588 0.03 . 68 148 24 GLU CA C 56.848 0.12 . 69 148 24 GLU CB C 30.220 0.12 . 70 148 24 GLU N N 122.970 0.15 . 71 149 25 LEU H H 8.170 0.03 . 72 149 25 LEU CA C 55.787 0.12 . 73 149 25 LEU CB C 42.327 0.12 . 74 149 25 LEU N N 122.353 0.15 . 75 150 26 VAL H H 8.062 0.03 . 76 150 26 VAL CA C 62.814 0.12 . 77 150 26 VAL CB C 32.430 0.12 . 78 150 26 VAL N N 121.331 0.15 . 79 151 27 ARG H H 8.376 0.03 . 80 151 27 ARG CA C 56.382 0.12 . 81 151 27 ARG CB C 30.823 0.12 . 82 151 27 ARG N N 124.821 0.15 . 83 152 28 MET H H 8.382 0.03 . 84 152 28 MET CA C 55.815 0.12 . 85 152 28 MET CB C 32.839 0.12 . 86 152 28 MET N N 121.367 0.15 . 87 153 29 HIS H H 8.354 0.03 . 88 153 29 HIS CA C 56.050 0.12 . 89 153 29 HIS CB C 30.603 0.12 . 90 153 29 HIS N N 120.731 0.15 . 91 154 30 ILE H H 8.131 0.03 . 92 154 30 ILE CA C 61.208 0.12 . 93 154 30 ILE CB C 38.584 0.12 . 94 154 30 ILE N N 122.751 0.15 . 95 155 31 LEU H H 8.361 0.03 . 96 155 31 LEU CA C 55.305 0.12 . 97 155 31 LEU CB C 42.367 0.12 . 98 155 31 LEU N N 126.234 0.15 . 99 156 32 GLU H H 8.450 0.03 . 100 156 32 GLU CA C 56.390 0.12 . 101 156 32 GLU CB C 30.445 0.12 . 102 156 32 GLU N N 122.250 0.15 . 103 157 33 GLU H H 8.530 0.03 . 104 157 33 GLU CA C 56.516 0.12 . 105 157 33 GLU CB C 30.388 0.12 . 106 157 33 GLU N N 122.530 0.15 . 107 158 34 THR H H 8.331 0.03 . 108 158 34 THR CA C 61.874 0.12 . 109 158 34 THR CB C 69.910 0.12 . 110 158 34 THR N N 115.730 0.15 . 111 159 35 SER H H 8.451 0.03 . 112 159 35 SER CA C 58.383 0.12 . 113 159 35 SER CB C 63.898 0.12 . 114 159 35 SER N N 119.170 0.15 . 115 160 36 ALA H H 8.127 0.03 . 116 160 36 ALA CA C 53.911 0.12 . 117 160 36 ALA CB C 19.906 0.12 . 118 160 36 ALA N N 131.924 0.15 . stop_ save_