data_7050 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of growth-blocking peptide of the cabbage armyworm, Mamestra brassicae ; _BMRB_accession_number 7050 _BMRB_flat_file_name bmr7050.str _Entry_type original _Submission_date 2006-04-02 _Accession_date 2006-04-03 _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 Umetsu Yoshitaka . . 2 Kamiya Masakatsu . . 3 Aizawa Tomoyasu . . 4 Kumaki Yasuhiro . . 5 Demura Makoto . . 6 Kawano Keiichi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 130 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-04-11 original author . stop_ _Original_release_date 2007-04-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of growth-blocking peptide of the cabbage armyworm, Mamestra brassicae' _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 Umetsu Yoshitaka . . 2 Kamiya Masakatsu . . 3 Aizawa Tomoyasu . . 4 Kumaki Yasuhiro . . 5 Demura Makoto . . 6 Kawano Keiichi . . 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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MbGBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MbGBP $MbGBP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MbGBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MbGBP _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; ENFAGGCLTGFMRTPDGRCK PTF ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ASN 3 PHE 4 ALA 5 GLY 6 GLY 7 CYS 8 LEU 9 THR 10 GLY 11 PHE 12 MET 13 ARG 14 THR 15 PRO 16 ASP 17 GLY 18 ARG 19 CYS 20 LYS 21 PRO 22 THR 23 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-25 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 PDB 2DJ9 "Solution Structure Of Growth-Blocking Peptide Of The Cabbage Armyworm, Mamestra Brassicae" 100.00 23 100.00 100.00 3.44e-07 DBJ BAA34952 "growth-blocking peptide [Mamestra brassicae]" 100.00 152 100.00 100.00 4.31e-08 DBJ BAD20459 "growth-blocking peptide [Mamestra brassicae]" 100.00 152 100.00 100.00 4.31e-08 DBJ BAD20460 "growth-blocking peptide [Mamestra brassicae]" 100.00 152 100.00 100.00 4.31e-08 DBJ BAD20461 "growth-blocking peptide [Mamestra brassicae]" 100.00 152 100.00 100.00 4.31e-08 DBJ BAJ21212 "precursor of insect cytokine growth blocking peptide [Mamestra brassicae]" 100.00 152 100.00 100.00 4.31e-08 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MbGBP 'cabbage armyworm' 55057 Eukaryota Metazoa Mamestra brassicae 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 $MbGBP 'recombinant technology' . . . . . 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 $MbGBP 5 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_DQF-COSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _Sample_label $sample_1 save_ save_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label $sample_1 save_ save_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $sample_1 save_ save_DQF-COSY _Saveframe_category NMR_applied_experiment _Experiment_name DQF-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 4.4 0.2 pH temperature 283 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_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 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_ph44 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name MbGBP _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 2 2 ASN H H 8.938 0.002 1 2 2 2 ASN HA H 4.751 0.006 1 3 2 2 ASN HB2 H 2.705 0.012 1 4 2 2 ASN HB3 H 2.705 0.012 1 5 2 2 ASN HD21 H 7.019 0.001 1 6 2 2 ASN HD22 H 7.683 0 1 7 3 3 PHE H H 8.639 0.004 1 8 3 3 PHE HA H 4.627 0.002 1 9 3 3 PHE HB2 H 3.164 0.006 2 10 3 3 PHE HB3 H 3.006 0.006 2 11 3 3 PHE HD1 H 7.262 0.008 1 12 3 3 PHE HD2 H 7.262 0.008 1 13 3 3 PHE HE1 H 7.337 0.003 1 14 3 3 PHE HE2 H 7.337 0.003 1 15 4 4 ALA H H 8.533 0.002 1 16 4 4 ALA HA H 4.322 0.005 1 17 4 4 ALA HB H 1.374 0.001 1 18 5 5 GLY H H 8.023 0.007 1 19 5 5 GLY HA2 H 3.905 0.007 1 20 5 5 GLY HA3 H 3.905 0.007 1 21 6 6 GLY H H 8.314 0.008 1 22 6 6 GLY HA2 H 3.974 0.009 1 23 6 6 GLY HA3 H 3.974 0.009 1 24 7 7 CYS H H 8.381 0.006 1 25 7 7 CYS HA H 4.776 0.002 1 26 7 7 CYS HB2 H 3.191 0.003 2 27 7 7 CYS HB3 H 2.604 0.009 2 28 8 8 LEU H H 8.731 0.003 1 29 8 8 LEU HA H 4.306 0.004 1 30 8 8 LEU HB2 H 1.619 0.005 1 31 8 8 LEU HB3 H 1.619 0.005 1 32 8 8 LEU HG H 1.471 0.003 1 33 8 8 LEU HD1 H 0.772 0.001 1 34 8 8 LEU HD2 H 0.82 0.003 1 35 9 9 THR H H 8.149 0.001 1 36 9 9 THR HA H 4.083 0.01 1 37 9 9 THR HB H 4.051 0 1 38 9 9 THR HG2 H 1.284 0.004 1 39 10 10 GLY H H 9.044 0.001 1 40 10 10 GLY HA2 H 4.252 0.008 2 41 10 10 GLY HA3 H 3.568 0.006 2 42 11 11 PHE H H 8.442 0.005 1 43 11 11 PHE HA H 5.119 0.004 1 44 11 11 PHE HB2 H 3.428 0.004 2 45 11 11 PHE HB3 H 2.544 0.007 2 46 11 11 PHE HD1 H 6.835 0.002 1 47 11 11 PHE HD2 H 6.835 0.002 1 48 11 11 PHE HE1 H 7.346 0.003 1 49 11 11 PHE HE2 H 7.346 0.003 1 50 12 12 MET H H 9.455 0.006 1 51 12 12 MET HA H 4.791 0.004 1 52 12 12 MET HB2 H 1.977 0.028 1 53 12 12 MET HB3 H 1.977 0.028 1 54 12 12 MET HG2 H 2.431 0.02 1 55 12 12 MET HG3 H 2.431 0.02 1 56 13 13 ARG H H 8.642 0.003 1 57 13 13 ARG HA H 5.093 0.007 1 58 13 13 ARG HB2 H 1.622 0.004 1 59 13 13 ARG HB3 H 1.622 0.004 1 60 13 13 ARG HG2 H 1.818 0.002 1 61 13 13 ARG HG3 H 1.818 0.002 1 62 13 13 ARG HD2 H 3.067 0.005 1 63 13 13 ARG HD3 H 3.067 0.005 1 64 13 13 ARG HE H 7.138 0.005 1 65 13 13 ARG HH11 H 6.48 0.011 1 66 13 13 ARG HH12 H 6.48 0.011 1 67 13 13 ARG HH21 H 6.732 0.016 1 68 13 13 ARG HH22 H 6.732 0.016 1 69 14 14 THR H H 9.106 0.004 1 70 14 14 THR HA H 4.763 0.006 1 71 14 14 THR HG2 H 1.266 0.002 1 72 15 15 PRO HA H 4.367 0.003 1 73 15 15 PRO HB2 H 2.008 0.009 2 74 15 15 PRO HB3 H 2.456 0.004 2 75 15 15 PRO HG2 H 2.163 0.001 1 76 15 15 PRO HG3 H 2.163 0.001 1 77 15 15 PRO HD2 H 3.934 0.011 2 78 15 15 PRO HD3 H 3.846 0.01 2 79 16 16 ASP H H 8.004 0.002 1 80 16 16 ASP HA H 4.604 0.006 1 81 16 16 ASP HB2 H 2.653 0.002 2 82 16 16 ASP HB3 H 2.973 0.004 2 83 17 17 GLY H H 8.376 0.003 1 84 17 17 GLY HA2 H 4.227 0.008 2 85 17 17 GLY HA3 H 3.588 0.007 2 86 18 18 ARG H H 7.673 0.001 1 87 18 18 ARG HA H 4.469 0.002 1 88 18 18 ARG HB2 H 1.829 0.003 1 89 18 18 ARG HB3 H 1.829 0.003 1 90 18 18 ARG HG2 H 1.52 0.008 1 91 18 18 ARG HG3 H 1.52 0.008 1 92 18 18 ARG HD2 H 3.166 0.007 1 93 18 18 ARG HD3 H 3.166 0.007 1 94 18 18 ARG HE H 7.517 0.002 1 95 18 18 ARG HH11 H 6.6 0.008 1 96 18 18 ARG HH12 H 6.6 0.008 1 97 18 18 ARG HH21 H 6.912 0.017 1 98 18 18 ARG HH22 H 6.912 0.017 1 99 19 19 CYS H H 8.633 0.003 1 100 19 19 CYS HA H 5.403 0.005 1 101 19 19 CYS HB2 H 2.783 0.01 1 102 19 19 CYS HB3 H 2.783 0.01 1 103 20 20 LYS H H 9.489 0.005 1 104 20 20 LYS HA H 5.127 0.005 1 105 20 20 LYS HB2 H 1.817 0.008 1 106 20 20 LYS HB3 H 1.817 0.008 1 107 20 20 LYS HG2 H 1.452 0.005 1 108 20 20 LYS HG3 H 1.452 0.005 1 109 20 20 LYS HD2 H 1.703 0.021 1 110 20 20 LYS HD3 H 1.703 0.021 1 111 20 20 LYS HE2 H 2.983 0.012 1 112 20 20 LYS HE3 H 2.983 0.012 1 113 20 20 LYS HZ H 7.678 0.002 1 114 21 21 PRO HA H 3.977 0.008 1 115 21 21 PRO HB2 H 1.569 0.008 2 116 21 21 PRO HB3 H 1.729 0.004 2 117 21 21 PRO HG2 H 1.856 0.009 2 118 21 21 PRO HG3 H 2.022 0.006 2 119 21 21 PRO HD2 H 3.728 0.003 2 120 21 21 PRO HD3 H 3.922 0.009 2 121 22 22 THR H H 8.001 0.001 1 122 22 22 THR HA H 4.051 0.016 1 123 22 22 THR HB H 4.027 0 1 124 22 22 THR HG2 H 0.98 0 1 125 23 23 PHE H H 7.474 0.005 1 126 23 23 PHE HA H 4.43 0.003 1 127 23 23 PHE HB2 H 3.065 0.002 2 128 23 23 PHE HB3 H 2.987 0.013 2 129 23 23 PHE HD1 H 7.201 0.003 1 130 23 23 PHE HD2 H 7.201 0.003 1 stop_ save_