data_11566 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; L105P-RPEL1 motif of MKL1 ; _BMRB_accession_number 11566 _BMRB_flat_file_name bmr11566.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" 28 "13C chemical shifts" 61 "15N chemical shifts" 28 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' 11567 'RPEL2 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 'L105P-RPEL motif of rat MKL1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label L105P-RPEL1 $L105P-MKL1 stop_ _System_molecular_weight 4182.9 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_L105P-MKL1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common L105P-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 ; GPHMLSERKNVLQLKLQQRR TREEPVSQGIMPPLKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 HIS 4 -1 MET 5 85 LEU 6 86 SER 7 87 GLU 8 88 ARG 9 89 LYS 10 90 ASN 11 91 VAL 12 92 LEU 13 93 GLN 14 94 LEU 15 95 LYS 16 96 LEU 17 97 GLN 18 98 GLN 19 99 ARG 20 100 ARG 21 101 THR 22 102 ARG 23 103 GLU 24 104 GLU 25 105 PRO 26 106 VAL 27 107 SER 28 108 GLN 29 109 GLY 30 110 ILE 31 111 MET 32 112 PRO 33 113 PRO 34 114 LEU 35 115 LYS 36 116 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 $L105P-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 $L105P-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 $L105P-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_ ####################### # 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 0.0 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.0 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' 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 L105P-RPEL1 _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 85 5 LEU H H 8.478 0.03 . 2 85 5 LEU CA C 55.402 0.12 . 3 85 5 LEU CB C 42.272 0.12 . 4 85 5 LEU N N 123.698 0.15 . 5 86 6 SER H H 8.337 0.03 . 6 86 6 SER CA C 58.392 0.12 . 7 86 6 SER CB C 63.408 0.12 . 8 86 6 SER N N 116.432 0.15 . 9 87 7 GLU H H 8.448 0.03 . 10 87 7 GLU CA C 56.389 0.12 . 11 87 7 GLU CB C 30.415 0.12 . 12 87 7 GLU N N 123.074 0.15 . 13 88 8 ARG H H 8.398 0.03 . 14 88 8 ARG CA C 56.428 0.12 . 15 88 8 ARG CB C 30.442 0.12 . 16 88 8 ARG N N 122.430 0.15 . 17 89 9 LYS H H 8.421 0.03 . 18 89 9 LYS CA C 56.461 0.12 . 19 89 9 LYS CB C 32.966 0.12 . 20 89 9 LYS N N 122.309 0.15 . 21 90 10 ASN H H 8.537 0.03 . 22 90 10 ASN CA C 53.424 0.12 . 23 90 10 ASN CB C 38.420 0.12 . 24 90 10 ASN N N 119.956 0.15 . 25 91 11 VAL H H 8.136 0.03 . 26 91 11 VAL CA C 63.285 0.12 . 27 91 11 VAL CB C 32.398 0.12 . 28 91 11 VAL N N 120.578 0.15 . 29 92 12 LEU H H 8.277 0.03 . 30 92 12 LEU CA C 55.876 0.12 . 31 92 12 LEU CB C 41.919 0.12 . 32 92 12 LEU N N 124.588 0.15 . 33 93 13 GLN H H 8.313 0.03 . 34 93 13 GLN CA C 56.351 0.12 . 35 93 13 GLN CB C 28.935 0.12 . 36 93 13 GLN N N 120.957 0.15 . 37 94 14 LEU H H 8.213 0.03 . 38 94 14 LEU CA C 55.886 0.12 . 39 94 14 LEU CB C 42.226 0.12 . 40 94 14 LEU N N 123.119 0.15 . 41 95 15 LYS H H 8.283 0.03 . 42 95 15 LYS CA C 56.803 0.12 . 43 95 15 LYS CB C 32.757 0.12 . 44 95 15 LYS N N 121.489 0.15 . 45 96 16 LEU H H 8.199 0.03 . 46 96 16 LEU CA C 55.446 0.12 . 47 96 16 LEU CB C 42.287 0.12 . 48 96 16 LEU N N 122.568 0.15 . 49 97 17 GLN H H 8.348 0.03 . 50 97 17 GLN CA C 55.912 0.12 . 51 97 17 GLN CB C 29.426 0.12 . 52 97 17 GLN N N 120.714 0.15 . 53 98 18 GLN H H 8.382 0.03 . 54 98 18 GLN CA C 55.898 0.12 . 55 98 18 GLN CB C 29.366 0.12 . 56 98 18 GLN N N 121.448 0.15 . 57 99 19 ARG CA C 56.278 0.12 . 58 99 19 ARG CB C 30.870 0.12 . 59 100 20 ARG H H 8.557 0.03 . 60 100 20 ARG CA C 56.297 0.12 . 61 100 20 ARG CB C 30.839 0.12 . 62 100 20 ARG N N 122.902 0.15 . 63 101 21 THR H H 8.312 0.03 . 64 101 21 THR CA C 61.903 0.12 . 65 101 21 THR CB C 69.893 0.12 . 66 101 21 THR N N 115.885 0.15 . 67 102 22 ARG H H 8.411 0.03 . 68 102 22 ARG CA C 56.409 0.12 . 69 102 22 ARG CB C 30.914 0.12 . 70 102 22 ARG N N 122.824 0.15 . 71 103 23 GLU H H 8.530 0.03 . 72 103 23 GLU CA C 56.344 0.12 . 73 103 23 GLU CB C 30.354 0.12 . 74 103 23 GLU N N 122.591 0.15 . 75 104 24 GLU H H 8.491 0.03 . 76 104 24 GLU CA C 54.392 0.12 . 77 104 24 GLU CB C 29.831 0.12 . 78 104 24 GLU N N 123.976 0.15 . 79 105 25 PRO CA C 63.065 0.12 . 80 105 25 PRO CB C 32.062 0.12 . 81 106 26 VAL H H 8.391 0.03 . 82 106 26 VAL CA C 62.414 0.12 . 83 106 26 VAL CB C 32.856 0.12 . 84 106 26 VAL N N 120.870 0.15 . 85 107 27 SER H H 8.503 0.03 . 86 107 27 SER CA C 58.315 0.12 . 87 107 27 SER CB C 63.893 0.12 . 88 107 27 SER N N 119.822 0.15 . 89 108 28 GLN H H 8.578 0.03 . 90 108 28 GLN CA C 55.929 0.12 . 91 108 28 GLN CB C 29.508 0.12 . 92 108 28 GLN N N 122.805 0.15 . 93 109 29 GLY H H 8.471 0.03 . 94 109 29 GLY CA C 45.370 0.12 . 95 109 29 GLY N N 110.094 0.15 . 96 110 30 ILE H H 8.087 0.03 . 97 110 30 ILE CA C 60.934 0.12 . 98 110 30 ILE CB C 38.426 0.12 . 99 110 30 ILE N N 120.164 0.15 . 100 111 31 MET H H 8.580 0.03 . 101 111 31 MET CA C 52.855 0.12 . 102 111 31 MET CB C 31.936 0.12 . 103 111 31 MET N N 126.844 0.15 . 104 113 33 PRO CA C 62.574 0.12 . 105 113 33 PRO CB C 31.970 0.12 . 106 114 34 LEU H H 8.411 0.03 . 107 114 34 LEU CA C 55.358 0.12 . 108 114 34 LEU CB C 42.400 0.12 . 109 114 34 LEU N N 122.824 0.15 . 110 115 35 LYS H H 8.425 0.03 . 111 115 35 LYS CA C 55.908 0.12 . 112 115 35 LYS CB C 33.386 0.12 . 113 115 35 LYS N N 123.372 0.15 . 114 116 36 SER H H 8.087 0.03 . 115 116 36 SER CA C 59.894 0.12 . 116 116 36 SER CB C 64.911 0.12 . 117 116 36 SER N N 123.744 0.15 . stop_ save_