data_6293 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H Assigned Chemical Shifts for FMBP-1 tandem repeat 2 in 30% (v/v) TFE solution ; _BMRB_accession_number 6293 _BMRB_flat_file_name bmr6293.str _Entry_type original _Submission_date 2004-08-24 _Accession_date 2004-08-24 _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 Yamaki Takeshi . . 2 Kawaguchi Kyosuke . . 3 Aizawa Tomoyasu . . 4 Takiya Shigeharu . . 5 Demura Makoto . . 6 Nitta Katsutoshi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 146 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-05-26 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6154 'tandem repeat 3 of FMBP-1 (residues 145-167)' 6155 'tandem repeat 4 of FMBP-1 (residues 168-190)' 6156 'tandem repeat 1 of FMBP-1 (residues 99-121)' 6157 'tandem repeat 2 of FMBP-1 (residues 122-144)' 6294 'tandem repeat 4 of FMBP-1 (residues 168-190) in 30% (v/v) TFE' 6296 'tandem repeat 3 of FMBP-1 (residues 145-167) in 30% (v/v) TFE' stop_ _Original_release_date 2005-05-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H Assigned Chemical Shifts for FMBP-1 tandem repeat 2 in 30% (v/v) TFE solution' _Citation_status published _Citation_type 'BMRB only' _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yamaki Takeshi . . 2 Kawaguchi Kyosuke . . 3 Aizawa Tomoyasu . . 4 Takiya Shigeharu . . 5 Demura Makoto . . 6 Nitta Katsutoshi . . stop_ _Journal_abbreviation . _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 2005 _Details . loop_ _Keyword 'tandem repeat' N-cap 'DNA binding' transcription 'silk gland' FMBP-1 'Bombyx mori' NMR stop_ save_ ################################## # Molecular system description # ################################## save_system_FMBP-1 _Saveframe_category molecular_system _Mol_system_name 'tandem repeat 2 of fibroin-modulator-binding-protein-1(residues 122-144)' _Abbreviation_common FMBP-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FMBP-1 $FMBP-1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FMBP-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common fibroin-modulator-binding-protein-1 _Abbreviation_common FMBP-1 _Molecular_mass 2695 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; ESPEQRATRLKRMSEYAAKR LSS ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 SER 3 PRO 4 GLU 5 GLN 6 ARG 7 ALA 8 THR 9 ARG 10 LEU 11 LYS 12 ARG 13 MET 14 SER 15 GLU 16 TYR 17 ALA 18 ALA 19 LYS 20 ARG 21 LEU 22 SER 23 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 BMRB 6157 FMBP-1 100.00 23 100.00 100.00 2.71e-05 PDB 1VD8 "Solution Structure Of Fmbp-1 Tandem Repeat 2" 100.00 23 100.00 100.00 2.71e-05 PDB 1WNM "Nmr Structure Of Fmbp-1 Tandem Repeat 2 In 30%(VV) TFE Solution" 100.00 23 100.00 100.00 2.71e-05 DBJ BAD89531 "fibroin-modulator-binding protein-1 [Bombyx mori]" 100.00 218 100.00 100.00 9.94e-05 REF NP_001036969 "fibroin-modulator-binding protein-1 [Bombyx mori]" 100.00 218 100.00 100.00 9.94e-05 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FMBP-1 Silkworm 7091 Eukaryota Metazoa Bombyx mori 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 $FMBP-1 'chemical synthesis' . . . . . 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 $FMBP-1 1.5 mM . TFE 30 '% (v/v)' . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'raw spectral data processing' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Task 'peak picking' assignments stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer JEOL _Model ALPHA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label . save_ save_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.0 0.2 pH temperature 293 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name FMBP-1 _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 . 1 GLU HA H 4.242 0.02 1 2 . 1 GLU HG2 H 2.385 0.02 2 3 . 1 GLU HB2 H 2.179 0.02 1 4 . 1 GLU HB3 H 2.179 0.02 1 5 . 1 GLU HG3 H 2.471 0.02 2 6 . 2 SER H H 9.204 0.02 1 7 . 2 SER HA H 4.981 0.02 1 8 . 2 SER HB2 H 4.027 0.02 2 9 . 2 SER HB3 H 4.498 0.02 2 10 . 3 PRO HA H 4.319 0.02 1 11 . 3 PRO HB2 H 1.980 0.02 2 12 . 3 PRO HG2 H 2.110 0.02 2 13 . 3 PRO HB3 H 2.463 0.02 2 14 . 3 PRO HD2 H 4.007 0.02 1 15 . 3 PRO HD3 H 4.007 0.02 1 16 . 3 PRO HG3 H 2.270 0.02 2 17 . 4 GLU H H 8.389 0.02 1 18 . 4 GLU HA H 4.136 0.02 1 19 . 4 GLU HB2 H 2.043 0.02 2 20 . 4 GLU HG2 H 2.484 0.02 2 21 . 4 GLU HB3 H 2.141 0.02 2 22 . 4 GLU HG3 H 2.584 0.02 2 23 . 5 GLN H H 7.976 0.02 1 24 . 5 GLN HA H 4.029 0.02 1 25 . 5 GLN HB2 H 2.413 0.02 2 26 . 5 GLN HE21 H 7.568 0.02 2 27 . 5 GLN HE22 H 6.906 0.02 2 28 . 5 GLN HB3 H 2.485 0.02 2 29 . 5 GLN HG2 H 2.135 0.02 1 30 . 5 GLN HG3 H 2.135 0.02 1 31 . 6 ARG H H 8.363 0.02 1 32 . 6 ARG HA H 4.018 0.02 1 33 . 6 ARG HB2 H 1.863 0.02 2 34 . 6 ARG HG2 H 1.605 0.02 2 35 . 6 ARG HB3 H 1.969 0.02 2 36 . 6 ARG HD2 H 3.221 0.02 1 37 . 6 ARG HD3 H 3.221 0.02 1 38 . 6 ARG HE H 7.317 0.02 1 39 . 6 ARG HG3 H 1.687 0.02 2 40 . 7 ALA H H 8.387 0.02 1 41 . 7 ALA HA H 4.088 0.02 1 42 . 7 ALA HB H 1.544 0.02 1 43 . 8 THR H H 7.956 0.02 1 44 . 8 THR HA H 3.925 0.02 1 45 . 8 THR HB H 4.338 0.02 1 46 . 8 THR HG2 H 1.301 0.02 1 47 . 9 ARG H H 8.063 0.02 1 48 . 9 ARG HA H 4.026 0.02 1 49 . 9 ARG HB2 H 1.984 0.02 2 50 . 9 ARG HG2 H 1.623 0.02 2 51 . 9 ARG HD2 H 3.211 0.02 2 52 . 9 ARG HB3 H 2.089 0.02 2 53 . 9 ARG HD3 H 3.282 0.02 2 54 . 9 ARG HE H 8.149 0.02 1 55 . 9 ARG HG3 H 1.759 0.02 2 56 . 10 LEU H H 8.399 0.02 1 57 . 10 LEU HA H 4.179 0.02 1 58 . 10 LEU HB2 H 1.829 0.02 2 59 . 10 LEU HB3 H 1.877 0.02 2 60 . 10 LEU HD2 H 0.918 0.02 1 61 . 10 LEU HD1 H 0.918 0.02 1 62 . 10 LEU HG H 1.614 0.02 1 63 . 11 LYS H H 8.306 0.02 1 64 . 11 LYS HA H 4.071 0.02 1 65 . 11 LYS HB2 H 2.033 0.02 1 66 . 11 LYS HB3 H 2.033 0.02 1 67 . 11 LYS HE2 H 2.981 0.02 1 68 . 11 LYS HE3 H 2.981 0.02 1 69 . 11 LYS HG2 H 1.480 0.02 2 70 . 11 LYS HG3 H 1.552 0.02 2 71 . 11 LYS HD2 H 1.723 0.02 1 72 . 11 LYS HD3 H 1.723 0.02 1 73 . 12 ARG H H 8.236 0.02 1 74 . 12 ARG HA H 4.107 0.02 1 75 . 12 ARG HG2 H 1.710 0.02 2 76 . 12 ARG HB2 H 2.007 0.02 1 77 . 12 ARG HB3 H 2.007 0.02 1 78 . 12 ARG HD2 H 3.203 0.02 1 79 . 12 ARG HD3 H 3.203 0.02 1 80 . 12 ARG HE H 7.175 0.02 1 81 . 12 ARG HG3 H 1.872 0.02 2 82 . 13 MET H H 8.600 0.02 1 83 . 13 MET HA H 4.266 0.02 1 84 . 13 MET HG2 H 2.610 0.02 2 85 . 13 MET HB2 H 2.277 0.02 1 86 . 13 MET HB3 H 2.277 0.02 1 87 . 13 MET HG3 H 2.815 0.02 2 88 . 14 SER H H 8.359 0.02 1 89 . 14 SER HA H 4.292 0.02 1 90 . 14 SER HB2 H 4.058 0.02 2 91 . 14 SER HB3 H 4.131 0.02 2 92 . 15 GLU H H 8.069 0.02 1 93 . 15 GLU HA H 4.165 0.02 1 94 . 15 GLU HB2 H 2.123 0.02 2 95 . 15 GLU HG2 H 2.456 0.02 2 96 . 15 GLU HB3 H 2.295 0.02 2 97 . 15 GLU HG3 H 2.667 0.02 2 98 . 16 TYR H H 8.168 0.02 1 99 . 16 TYR HA H 4.287 0.02 1 100 . 16 TYR HB2 H 3.208 0.02 1 101 . 16 TYR HB3 H 3.208 0.02 1 102 . 16 TYR HD1 H 7.166 0.02 1 103 . 16 TYR HD2 H 7.166 0.02 1 104 . 16 TYR HE1 H 6.827 0.02 1 105 . 16 TYR HE2 H 6.827 0.02 1 106 . 17 ALA H H 8.390 0.02 1 107 . 17 ALA HA H 4.023 0.02 1 108 . 17 ALA HB H 1.552 0.02 1 109 . 18 ALA H H 7.982 0.02 1 110 . 18 ALA HA H 4.134 0.02 1 111 . 18 ALA HB H 1.533 0.02 1 112 . 19 LYS H H 7.891 0.02 1 113 . 19 LYS HA H 4.144 0.02 1 114 . 19 LYS HB2 H 1.935 0.02 1 115 . 19 LYS HB3 H 1.935 0.02 1 116 . 19 LYS HG2 H 1.564 0.02 2 117 . 19 LYS HG3 H 1.500 0.02 2 118 . 19 LYS HE3 H 3.006 0.02 1 119 . 19 LYS HE2 H 3.006 0.02 1 120 . 19 LYS HD2 H 1.712 0.02 1 121 . 19 LYS HD3 H 1.712 0.02 1 122 . 19 LYS HZ H 7.622 0.02 1 123 . 20 ARG H H 8.072 0.02 1 124 . 20 ARG HA H 4.158 0.02 1 125 . 20 ARG HB2 H 1.787 0.02 2 126 . 20 ARG HB3 H 1.875 0.02 2 127 . 20 ARG HD2 H 3.100 0.02 1 128 . 20 ARG HD3 H 3.100 0.02 1 129 . 20 ARG HE H 7.207 0.02 1 130 . 20 ARG HG2 H 1.569 0.02 1 131 . 20 ARG HG3 H 1.569 0.02 1 132 . 21 LEU H H 8.143 0.02 1 133 . 21 LEU HA H 4.360 0.02 1 134 . 21 LEU HB2 H 1.784 0.02 1 135 . 21 LEU HB3 H 1.784 0.02 1 136 . 21 LEU HD2 H 0.921 0.02 1 137 . 21 LEU HD1 H 0.921 0.02 1 138 . 21 LEU HG H 1.647 0.02 1 139 . 22 SER H H 7.814 0.02 1 140 . 22 SER HA H 4.573 0.02 1 141 . 22 SER HB2 H 3.965 0.02 2 142 . 22 SER HB3 H 4.027 0.02 2 143 . 23 SER H H 7.886 0.02 1 144 . 23 SER HA H 4.538 0.02 1 145 . 23 SER HB2 H 3.974 0.02 2 146 . 23 SER HB3 H 4.019 0.02 2 stop_ save_