data_7051 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of growth-blocking peptide of the tobacco cutworm, Spodoptera litura ; _BMRB_accession_number 7051 _BMRB_flat_file_name bmr7051.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" 122 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 SlGBP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SlGBP $SlGBP 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_SlGBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SlGBP _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; ENFAAGCATGYQRTADGRCK PTF ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 ASN 3 PHE 4 ALA 5 ALA 6 GLY 7 CYS 8 ALA 9 THR 10 GLY 11 TYR 12 GLN 13 ARG 14 THR 15 ALA 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 2014-05-12 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 2DJC "Solution Structure Of Growth-Blocking Peptide Of The Tobacco Cutworm, Spodoptera Litura" 100.00 23 100.00 100.00 3.40e-07 DBJ BAA34953 "growth-blocking peptide [Spodoptera litura]" 100.00 144 100.00 100.00 9.34e-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 $SlGBP 'tobacco cutworm' 69820 Eukaryota Metazoa Spodoptera litura 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 $SlGBP '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 $SlGBP 2 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 SlGBP _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 8.916 0 1 2 2 2 ASN HA H 4.738 0 1 3 2 2 ASN HD21 H 7.689 0 1 4 2 2 ASN HD22 H 7.02 0.001 1 5 3 3 PHE H H 8.599 0.002 1 6 3 3 PHE HA H 4.597 0.003 1 7 3 3 PHE HB2 H 2.974 0.005 2 8 3 3 PHE HB3 H 3.176 0.002 2 9 3 3 PHE HD1 H 7.25 0.006 1 10 3 3 PHE HD2 H 7.25 0.006 1 11 3 3 PHE HE1 H 7.33 0.007 1 12 3 3 PHE HE2 H 7.33 0.007 1 13 4 4 ALA H H 8.426 0.001 1 14 4 4 ALA HA H 4.273 0.005 1 15 4 4 ALA HB H 1.367 0.006 1 16 5 5 ALA H H 8.204 0.002 1 17 5 5 ALA HA H 4.295 0.011 1 18 5 5 ALA HB H 1.4 0.004 1 19 6 6 GLY H H 8.361 0.008 1 20 6 6 GLY HA2 H 3.963 0.006 1 21 6 6 GLY HA3 H 3.963 0.006 1 22 7 7 CYS H H 8.475 0.004 1 23 7 7 CYS HA H 4.793 0.004 1 24 7 7 CYS HB2 H 2.602 0.004 2 25 7 7 CYS HB3 H 3.081 0.003 2 26 8 8 ALA H H 8.662 0.004 1 27 8 8 ALA HA H 4.269 0.008 1 28 8 8 ALA HB H 1.248 0.007 1 29 9 9 THR H H 8.354 0.004 1 30 9 9 THR HA H 4.071 0.008 1 31 9 9 THR HG2 H 1.29 0.002 1 32 10 10 GLY H H 9.14 0.001 1 33 10 10 GLY HA2 H 3.627 0.003 2 34 10 10 GLY HA3 H 4.291 0.002 2 35 11 11 TYR H H 8.428 0.003 1 36 11 11 TYR HA H 5.084 0.002 1 37 11 11 TYR HB2 H 3.389 0.002 2 38 11 11 TYR HB3 H 2.428 0.003 2 39 11 11 TYR HD1 H 6.727 0.002 1 40 11 11 TYR HD2 H 6.727 0.002 1 41 11 11 TYR HE1 H 6.816 0.002 1 42 11 11 TYR HE2 H 6.816 0.002 1 43 12 12 GLN H H 9.289 0.003 1 44 12 12 GLN HA H 4.689 0.005 1 45 12 12 GLN HB2 H 1.929 0.004 1 46 12 12 GLN HB3 H 1.929 0.004 1 47 12 12 GLN HG2 H 2.222 0.004 1 48 12 12 GLN HG3 H 2.222 0.004 1 49 12 12 GLN HE21 H 7.517 0.003 1 50 12 12 GLN HE22 H 6.935 0.001 1 51 13 13 ARG H H 8.849 0.002 1 52 13 13 ARG HA H 5 0.002 1 53 13 13 ARG HB2 H 1.802 0.005 1 54 13 13 ARG HB3 H 1.802 0.005 1 55 13 13 ARG HG2 H 1.624 0.005 1 56 13 13 ARG HG3 H 1.624 0.005 1 57 13 13 ARG HD2 H 3.052 0.005 1 58 13 13 ARG HD3 H 3.052 0.005 1 59 13 13 ARG HE H 7.112 0.001 1 60 13 13 ARG HH11 H 6.723 0.005 1 61 13 13 ARG HH12 H 6.723 0.005 1 62 13 13 ARG HH21 H 6.471 0.011 1 63 13 13 ARG HH22 H 6.471 0.011 1 64 14 14 THR H H 9.02 0.003 1 65 14 14 THR HA H 4.638 0.008 1 66 14 14 THR HG2 H 1.243 0.002 1 67 15 15 ALA H H 9.016 0.001 1 68 15 15 ALA HA H 4.139 0.002 1 69 15 15 ALA HB H 1.489 0.002 1 70 16 16 ASP H H 8.13 0.003 1 71 16 16 ASP HA H 4.607 0.011 1 72 16 16 ASP HB2 H 2.642 0.002 2 73 16 16 ASP HB3 H 2.994 0.005 2 74 17 17 GLY H H 8.145 0.003 1 75 17 17 GLY HA2 H 4.21 0.013 2 76 17 17 GLY HA3 H 3.601 0.003 2 77 18 18 ARG H H 7.71 0.002 1 78 18 18 ARG HA H 4.476 0.003 1 79 18 18 ARG HB2 H 1.823 0.003 1 80 18 18 ARG HB3 H 1.823 0.003 1 81 18 18 ARG HG2 H 1.524 0.004 1 82 18 18 ARG HG3 H 1.524 0.004 1 83 18 18 ARG HD2 H 3.174 0.003 1 84 18 18 ARG HD3 H 3.174 0.003 1 85 18 18 ARG HE H 7.492 0.011 1 86 18 18 ARG HH11 H 6.615 0.01 1 87 18 18 ARG HH12 H 6.615 0.01 1 88 18 18 ARG HH21 H 6.916 0.011 1 89 18 18 ARG HH22 H 6.916 0.011 1 90 19 19 CYS H H 8.699 0.002 1 91 19 19 CYS HA H 5.257 0.001 1 92 19 19 CYS HB2 H 2.792 0.009 1 93 19 19 CYS HB3 H 2.792 0.009 1 94 20 20 LYS H H 9.375 0.003 1 95 20 20 LYS HA H 5.083 0.002 1 96 20 20 LYS HB2 H 1.799 0.032 1 97 20 20 LYS HB3 H 1.799 0.032 1 98 20 20 LYS HG2 H 1.439 0.006 1 99 20 20 LYS HG3 H 1.439 0.006 1 100 20 20 LYS HD2 H 1.679 0.004 1 101 20 20 LYS HD3 H 1.679 0.004 1 102 20 20 LYS HE2 H 2.959 0.006 1 103 20 20 LYS HE3 H 2.959 0.006 1 104 21 21 PRO HA H 3.903 0.006 1 105 21 21 PRO HB2 H 1.523 0.006 2 106 21 21 PRO HB3 H 1.635 0.007 2 107 21 21 PRO HG2 H 1.82 0.002 2 108 21 21 PRO HG3 H 2.009 0.005 2 109 21 21 PRO HD2 H 3.848 0.006 2 110 21 21 PRO HD3 H 3.704 0.003 2 111 22 22 THR H H 8.169 0.008 1 112 22 22 THR HA H 4.066 0.012 1 113 22 22 THR HB H 4.022 0.001 1 114 22 22 THR HG2 H 0.971 0.002 1 115 23 23 PHE H H 7.465 0.002 1 116 23 23 PHE HA H 4.434 0.004 1 117 23 23 PHE HB2 H 3.018 0.007 1 118 23 23 PHE HB3 H 3.018 0.007 1 119 23 23 PHE HD1 H 7.197 0.005 1 120 23 23 PHE HD2 H 7.197 0.005 1 121 23 23 PHE HE1 H 7.253 0.005 1 122 23 23 PHE HE2 H 7.253 0.005 1 stop_ save_