data_11568 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; RPEL3 motif of MKL1 ; _BMRB_accession_number 11568 _BMRB_flat_file_name bmr11568.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" 27 "13C chemical shifts" 59 "15N chemical shifts" 27 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' 11567 'RPEL2 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 RPEL3 $MKL1 stop_ _System_molecular_weight 4012.6 _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 ; GPHMRARLADDLNEKIAQRP GPMELVEKNILPVESS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 HIS 4 -1 MET 5 173 ARG 6 174 ALA 7 175 ARG 8 176 LEU 9 177 ALA 10 178 ASP 11 179 ASP 12 180 LEU 13 181 ASN 14 182 GLU 15 183 LYS 16 184 ILE 17 185 ALA 18 186 GLN 19 187 ARG 20 188 PRO 21 189 GLY 22 190 PRO 23 191 MET 24 192 GLU 25 193 LEU 26 194 VAL 27 195 GLU 28 196 LYS 29 197 ASN 30 198 ILE 31 199 LEU 32 200 PRO 33 201 VAL 34 202 GLU 35 203 SER 36 204 SER 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 RPEL3 _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 1 173 5 ARG H H 8.524 0.03 . 2 173 5 ARG CA C 55.875 0.12 . 3 173 5 ARG CB C 30.908 0.12 . 4 173 5 ARG N N 123.067 0.15 . 5 174 6 ALA H H 8.445 0.03 . 6 174 6 ALA CA C 52.464 0.12 . 7 174 6 ALA CB C 19.246 0.12 . 8 174 6 ALA N N 125.913 0.15 . 9 175 7 ARG H H 8.406 0.03 . 10 175 7 ARG CA C 55.978 0.12 . 11 175 7 ARG CB C 30.950 0.12 . 12 175 7 ARG N N 120.933 0.15 . 13 176 8 LEU H H 8.462 0.03 . 14 176 8 LEU CA C 55.270 0.12 . 15 176 8 LEU CB C 42.381 0.12 . 16 176 8 LEU N N 124.291 0.15 . 17 177 9 ALA H H 8.360 0.03 . 18 177 9 ALA CA C 52.751 0.12 . 19 177 9 ALA CB C 19.246 0.12 . 20 177 9 ALA N N 124.141 0.15 . 21 178 10 ASP H H 8.282 0.03 . 22 178 10 ASP CA C 54.599 0.12 . 23 178 10 ASP CB C 41.067 0.12 . 24 178 10 ASP N N 119.023 0.15 . 25 179 11 ASP H H 8.229 0.03 . 26 179 11 ASP CA C 54.430 0.12 . 27 179 11 ASP CB C 40.985 0.12 . 28 179 11 ASP N N 120.180 0.15 . 29 180 12 LEU H H 8.242 0.03 . 30 180 12 LEU CA C 55.693 0.12 . 31 180 12 LEU CB C 41.845 0.12 . 32 180 12 LEU N N 122.247 0.15 . 33 181 13 ASN H H 8.380 0.03 . 34 181 13 ASN CA C 53.822 0.12 . 35 181 13 ASN CB C 38.860 0.12 . 36 181 13 ASN N N 118.526 0.15 . 37 182 14 GLU H H 8.342 0.03 . 38 182 14 GLU CA C 57.067 0.12 . 39 182 14 GLU CB C 30.342 0.12 . 40 182 14 GLU N N 121.212 0.15 . 41 183 15 LYS H H 8.326 0.03 . 42 183 15 LYS CA C 56.602 0.12 . 43 183 15 LYS CB C 32.833 0.12 . 44 183 15 LYS N N 121.891 0.15 . 45 184 16 ILE H H 8.087 0.03 . 46 184 16 ILE CA C 61.137 0.12 . 47 184 16 ILE CB C 38.628 0.12 . 48 184 16 ILE N N 121.695 0.15 . 49 185 17 ALA H H 8.378 0.03 . 50 185 17 ALA CA C 52.540 0.12 . 51 185 17 ALA CB C 19.270 0.12 . 52 185 17 ALA N N 127.914 0.15 . 53 188 20 PRO CA C 63.097 0.12 . 54 188 20 PRO CB C 32.403 0.12 . 55 189 21 GLY H H 8.468 0.03 . 56 189 21 GLY CA C 44.423 0.12 . 57 189 21 GLY N N 109.750 0.15 . 58 190 22 PRO CA C 63.450 0.12 . 59 190 22 PRO CB C 32.245 0.12 . 60 191 23 MET H H 8.600 0.03 . 61 191 23 MET CA C 55.752 0.12 . 62 191 23 MET CB C 32.346 0.12 . 63 191 23 MET N N 120.088 0.15 . 64 192 24 GLU H H 8.374 0.03 . 65 192 24 GLU CA C 56.432 0.12 . 66 192 24 GLU CB C 30.391 0.12 . 67 192 24 GLU N N 122.115 0.15 . 68 193 25 LEU H H 8.310 0.03 . 69 193 25 LEU CA C 55.117 0.12 . 70 193 25 LEU CB C 42.340 0.12 . 71 193 25 LEU N N 123.426 0.15 . 72 194 26 VAL H H 8.109 0.03 . 73 194 26 VAL CA C 62.241 0.12 . 74 194 26 VAL CB C 32.884 0.12 . 75 194 26 VAL N N 121.749 0.15 . 76 195 27 GLU H H 8.550 0.03 . 77 195 27 GLU CA C 56.573 0.12 . 78 195 27 GLU CB C 30.414 0.12 . 79 195 27 GLU N N 125.236 0.15 . 80 196 28 LYS H H 8.413 0.03 . 81 196 28 LYS CA C 56.369 0.12 . 82 196 28 LYS CB C 33.334 0.12 . 83 196 28 LYS N N 122.609 0.15 . 84 197 29 ASN H H 8.565 0.03 . 85 197 29 ASN CA C 53.379 0.12 . 86 197 29 ASN CB C 38.877 0.12 . 87 197 29 ASN N N 120.075 0.15 . 88 198 30 ILE H H 8.180 0.04 . 89 198 30 ILE CA C 60.823 0.12 . 90 198 30 ILE CB C 38.710 0.12 . 91 198 30 ILE N N 121.389 0.15 . 92 199 31 LEU H H 8.384 0.03 . 93 199 31 LEU CA C 52.841 0.12 . 94 199 31 LEU CB C 41.721 0.12 . 95 199 31 LEU N N 128.281 0.15 . 96 200 32 PRO CA C 62.803 0.12 . 97 200 32 PRO CB C 32.022 0.12 . 98 201 33 VAL H H 8.325 0.03 . 99 201 33 VAL CA C 62.315 0.12 . 100 201 33 VAL CB C 32.495 0.12 . 101 201 33 VAL N N 121.020 0.15 . 102 202 34 GLU H H 8.651 0.03 . 103 202 34 GLU CA C 56.401 0.12 . 104 202 34 GLU CB C 30.498 0.12 . 105 202 34 GLU N N 125.236 0.15 . 106 203 35 SER H H 8.492 0.03 . 107 203 35 SER CA C 58.321 0.12 . 108 203 35 SER CB C 63.880 0.12 . 109 203 35 SER N N 117.974 0.15 . 110 204 36 SER H H 8.124 0.03 . 111 204 36 SER CA C 59.923 0.12 . 112 204 36 SER CB C 64.418 0.12 . 113 204 36 SER N N 123.555 0.15 . stop_ save_