data_5098 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A Plant 4-kDa Peptide with Insulin-like Function ; _BMRB_accession_number 5098 _BMRB_flat_file_name bmr5098.str _Entry_type original _Submission_date 2001-08-03 _Accession_date 2001-08-03 _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 Yamazaki Toshimasa . . 2 Takaoka Motoko . . 3 Katoh Etsuko . . 4 Hanada Kazuki . . 5 Sakita Masasshi . . 6 Sakata Kyoko . . 7 Nishiuchi Yuji . . 8 Hirano Hisashi . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 205 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-05-14 original author . stop_ _Original_release_date 2003-05-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A Possible Physiological Function and the Tertiary Structure of a 4-kDa Peptide in Legumes ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22518519 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yamazaki Toshimasa . . 2 Takaoka Motoko . . 3 Katoh Etsuko . . 4 Hanada Kazuki . . 5 Sakita Masasshi . . 6 Sakata Kyoko . . 7 Nishiuchi Yuji . . 8 Hirano Hisashi . . stop_ _Journal_abbreviation 'Eur. J. Biochem.' _Journal_volume 270 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1269 _Page_last 1276 _Year 2003 _Details . loop_ _Keyword Leginsulin NMR 'plant hormone' stop_ save_ ################################## # Molecular system description # ################################## save_system_leginsulin _Saveframe_category molecular_system _Mol_system_name leginsulin _Abbreviation_common leginsulin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label leginsulin $leginsulin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_leginsulin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common leginsulin _Abbreviation_common 'plant hormone' _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 37 _Mol_residue_sequence ; ADCNGACSPFEVPPCRSRDC RCVPIGLFVGFCIHPTG ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASP 3 CYS 4 ASN 5 GLY 6 ALA 7 CYS 8 SER 9 PRO 10 PHE 11 GLU 12 VAL 13 PRO 14 PRO 15 CYS 16 ARG 17 SER 18 ARG 19 ASP 20 CYS 21 ARG 22 CYS 23 VAL 24 PRO 25 ILE 26 GLY 27 LEU 28 PHE 29 VAL 30 GLY 31 PHE 32 CYS 33 ILE 34 HIS 35 PRO 36 THR 37 GLY stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 EMBL CAA11040 'leginsulin [Glycine max]' 100.00 119 100.00 100.00 5.64e-14 SWISS-PROT Q39837 'Albumin-1 precursor (A1) [Contains: Albumin-1 chain b (A1b) (Leginsulin); Albumin-1 chain a (A1a)]' 100.00 119 100.00 100.00 5.83e-14 PDB 1JU8 'Solution Structure Of Leginsulin, A Plant Hormon' 100.00 37 100.00 100.00 8.42e-13 DBJ BAA04219 'leginsulin precursor [Glycine max]' 100.00 119 100.00 100.00 5.83e-14 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $leginsulin Soybean 3847 Eukaryota Viridiplantae Glycine max 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 $leginsulin '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 $leginsulin 4 mM . stop_ save_ ############################ # Computer software used # ############################ save_pipp _Saveframe_category software _Name PIPP _Version . _Details . save_ save_pipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-NOESY _Sample_label . save_ save_1H-HOHAHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-HOHAHA _Sample_label . save_ save_1H-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-COSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-HOHAHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-COSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 1.8 0.2 n/a temperature 298 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 TSP H 1 'methyl protons' ppm 0.00 external indirect spherical external parallel 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 $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name leginsulin _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 ALA HA H 4.14 0.02 1 2 . 1 ALA HB H 1.54 0.02 1 3 . 2 ASP H H 8.69 0.02 1 4 . 2 ASP HA H 4.78 0.02 1 5 . 2 ASP HB2 H 2.85 0.02 1 6 . 2 ASP HB3 H 2.94 0.02 1 7 . 3 CYS H H 8.52 0.02 1 8 . 3 CYS HA H 4.72 0.02 1 9 . 3 CYS HB2 H 3.39 0.02 2 10 . 3 CYS HB3 H 3.14 0.02 2 11 . 4 ASN H H 8.02 0.02 1 12 . 4 ASN HA H 4.95 0.02 1 13 . 4 ASN HB2 H 2.78 0.02 1 14 . 4 ASN HB3 H 2.78 0.02 1 15 . 4 ASN HD21 H 6.91 0.02 1 16 . 4 ASN HD22 H 7.52 0.02 1 17 . 5 GLY H H 8.47 0.02 1 18 . 5 GLY HA2 H 4.41 0.02 2 19 . 5 GLY HA3 H 3.88 0.02 2 20 . 6 ALA H H 8.11 0.02 1 21 . 6 ALA HA H 4.93 0.02 1 22 . 6 ALA HB H 1.48 0.02 1 23 . 7 CYS H H 8.19 0.02 1 24 . 7 CYS HA H 4.98 0.02 1 25 . 7 CYS HB2 H 3.52 0.02 1 26 . 7 CYS HB3 H 2.93 0.02 1 27 . 8 SER H H 8.44 0.02 1 28 . 8 SER HA H 5.08 0.02 1 29 . 8 SER HB2 H 3.71 0.02 1 30 . 8 SER HB3 H 4.07 0.02 1 31 . 9 PRO HA H 4.15 0.02 1 32 . 9 PRO HB2 H 2.04 0.02 1 33 . 9 PRO HB3 H 1.39 0.02 1 34 . 9 PRO HG2 H 1.62 0.02 1 35 . 9 PRO HG3 H 1.59 0.02 1 36 . 9 PRO HD2 H 3.58 0.02 1 37 . 9 PRO HD3 H 3.58 0.02 1 38 . 10 PHE H H 7.49 0.02 1 39 . 10 PHE HA H 4.59 0.02 1 40 . 10 PHE HB2 H 2.77 0.02 1 41 . 10 PHE HB3 H 3.41 0.02 1 42 . 10 PHE HD1 H 7.24 0.02 1 43 . 10 PHE HD2 H 7.24 0.02 1 44 . 10 PHE HE1 H 7.35 0.02 1 45 . 10 PHE HE2 H 7.35 0.02 1 46 . 11 GLU H H 7.36 0.02 1 47 . 11 GLU HA H 4.44 0.02 1 48 . 11 GLU HB2 H 2.06 0.02 1 49 . 11 GLU HB3 H 2.14 0.02 1 50 . 11 GLU HG2 H 2.49 0.02 1 51 . 11 GLU HG3 H 2.49 0.02 1 52 . 12 VAL H H 8.17 0.02 1 53 . 12 VAL HA H 4.33 0.02 1 54 . 12 VAL HB H 2.03 0.02 1 55 . 12 VAL HG1 H 0.90 0.02 1 56 . 12 VAL HG2 H 0.90 0.02 1 57 . 13 PRO HA H 5.06 0.02 1 58 . 13 PRO HB2 H 2.37 0.02 1 59 . 13 PRO HB3 H 2.12 0.02 1 60 . 13 PRO HG2 H 1.77 0.02 1 61 . 13 PRO HG3 H 1.91 0.02 1 62 . 13 PRO HD2 H 3.59 0.02 1 63 . 13 PRO HD3 H 3.53 0.02 1 64 . 14 PRO HA H 4.41 0.02 1 65 . 14 PRO HB2 H 2.42 0.02 1 66 . 14 PRO HB3 H 1.83 0.02 1 67 . 14 PRO HG2 H 2.19 0.02 1 68 . 14 PRO HG3 H 2.05 0.02 1 69 . 14 PRO HD2 H 3.89 0.02 1 70 . 14 PRO HD3 H 3.78 0.02 1 71 . 15 CYS H H 8.03 0.02 1 72 . 15 CYS HA H 4.52 0.02 1 73 . 15 CYS HB2 H 3.40 0.02 1 74 . 15 CYS HB3 H 3.13 0.02 1 75 . 16 ARG H H 8.35 0.02 1 76 . 16 ARG HA H 3.84 0.02 1 77 . 16 ARG HB2 H 1.95 0.02 1 78 . 16 ARG HB3 H 1.95 0.02 1 79 . 16 ARG HG2 H 1.67 0.02 1 80 . 16 ARG HG3 H 1.67 0.02 1 81 . 16 ARG HD2 H 3.24 0.02 2 82 . 16 ARG HD3 H 2.0 0.02 2 83 . 16 ARG HH11 H 7.21 0.02 1 84 . 16 ARG HH12 H 7.21 0.02 1 85 . 17 SER H H 7.43 0.02 1 86 . 17 SER HA H 4.71 0.02 1 87 . 17 SER HB2 H 3.70 0.02 1 88 . 17 SER HB3 H 3.83 0.02 1 89 . 18 ARG H H 8.66 0.02 1 90 . 18 ARG HA H 4.28 0.02 1 91 . 18 ARG HB2 H 1.86 0.02 1 92 . 18 ARG HB3 H 1.94 0.02 1 93 . 18 ARG HG2 H 1.86 0.02 1 94 . 18 ARG HG3 H 1.73 0.02 1 95 . 18 ARG HD2 H 3.25 0.02 1 96 . 18 ARG HD3 H 3.25 0.02 1 97 . 18 ARG HH11 H 7.23 0.02 1 98 . 18 ARG HH12 H 7.23 0.02 1 99 . 19 ASP H H 8.50 0.02 1 100 . 19 ASP HA H 4.72 0.02 1 101 . 19 ASP HB2 H 2.75 0.02 1 102 . 19 ASP HB3 H 2.96 0.02 1 103 . 20 CYS H H 7.52 0.02 1 104 . 20 CYS HA H 5.23 0.02 1 105 . 20 CYS HB2 H 2.93 0.02 1 106 . 20 CYS HB3 H 2.78 0.02 1 107 . 21 ARG H H 9.04 0.02 1 108 . 21 ARG HA H 4.62 0.02 1 109 . 21 ARG HB2 H 1.62 0.02 1 110 . 21 ARG HB3 H 1.70 0.02 1 111 . 21 ARG HG2 H 1.62 0.02 2 112 . 21 ARG HG3 H 1.45 0.02 2 113 . 21 ARG HD2 H 3.14 0.02 2 114 . 21 ARG HD3 H 3.20 0.02 2 115 . 21 ARG HH11 H 7.24 0.02 1 116 . 21 ARG HH12 H 7.24 0.02 1 117 . 22 CYS H H 8.82 0.02 1 118 . 22 CYS HA H 4.86 0.02 1 119 . 22 CYS HB2 H 2.90 0.02 1 120 . 22 CYS HB3 H 2.70 0.02 1 121 . 23 VAL H H 9.13 0.02 1 122 . 23 VAL HA H 4.26 0.02 1 123 . 23 VAL HB H 1.45 0.02 1 124 . 23 VAL HG1 H 0.76 0.02 1 125 . 23 VAL HG2 H 0.81 0.02 1 126 . 24 PRO HA H 4.52 0.02 1 127 . 24 PRO HB2 H 2.23 0.02 1 128 . 24 PRO HB3 H 1.99 0.02 1 129 . 24 PRO HG2 H 1.80 0.02 1 130 . 24 PRO HG3 H 2.12 0.02 1 131 . 24 PRO HD2 H 4.01 0.02 1 132 . 24 PRO HD3 H 3.67 0.02 1 133 . 25 ILE H H 8.89 0.02 1 134 . 25 ILE HA H 4.53 0.02 1 135 . 25 ILE HB H 2.02 0.02 1 136 . 25 ILE HG12 H 1.42 0.02 2 137 . 25 ILE HG13 H 1.07 0.02 2 138 . 25 ILE HG2 H 1.00 0.02 1 139 . 25 ILE HD1 H 0.87 0.02 1 140 . 26 GLY H H 7.99 0.02 1 141 . 26 GLY HA2 H 4.12 0.02 2 142 . 26 GLY HA3 H 3.97 0.02 2 143 . 27 LEU H H 8.21 0.02 1 144 . 27 LEU HA H 3.99 0.02 1 145 . 27 LEU HB2 H 1.23 0.02 1 146 . 27 LEU HB3 H 1.03 0.02 1 147 . 27 LEU HG H 1.27 0.02 1 148 . 27 LEU HD1 H 0.78 0.02 2 149 . 27 LEU HD2 H 0.72 0.02 2 150 . 28 PHE H H 8.30 0.02 1 151 . 28 PHE HA H 4.80 0.02 1 152 . 28 PHE HB2 H 3.53 0.02 1 153 . 28 PHE HB3 H 3.04 0.02 1 154 . 28 PHE HD1 H 7.30 0.02 1 155 . 28 PHE HD2 H 7.30 0.02 1 156 . 28 PHE HE1 H 7.32 0.02 1 157 . 28 PHE HE2 H 7.32 0.02 1 158 . 29 VAL H H 7.29 0.02 1 159 . 29 VAL HA H 4.85 0.02 1 160 . 29 VAL HB H 2.03 0.02 1 161 . 29 VAL HG1 H 0.16 0.02 1 162 . 29 VAL HG2 H 1.05 0.02 1 163 . 30 GLY H H 8.39 0.02 1 164 . 30 GLY HA2 H 3.82 0.02 1 165 . 30 GLY HA3 H 4.75 0.02 1 166 . 31 PHE H H 8.51 0.02 1 167 . 31 PHE HA H 5.40 0.02 1 168 . 31 PHE HB2 H 2.98 0.02 1 169 . 31 PHE HB3 H 2.98 0.02 1 170 . 31 PHE HD1 H 7.08 0.02 1 171 . 31 PHE HD2 H 7.08 0.02 1 172 . 31 PHE HE1 H 7.20 0.02 1 173 . 31 PHE HE2 H 7.20 0.02 1 174 . 31 PHE HZ H 7.34 0.02 1 175 . 32 CYS H H 8.54 0.02 1 176 . 32 CYS HA H 5.11 0.02 1 177 . 32 CYS HB2 H 2.79 0.02 1 178 . 32 CYS HB3 H 2.79 0.02 1 179 . 33 ILE H H 9.06 0.02 1 180 . 33 ILE HA H 4.75 0.02 1 181 . 33 ILE HB H 1.88 0.02 1 182 . 33 ILE HG12 H 1.36 0.02 1 183 . 33 ILE HG13 H 1.12 0.02 1 184 . 33 ILE HG2 H 0.89 0.02 1 185 . 33 ILE HD1 H 0.85 0.02 1 186 . 34 HIS H H 8.71 0.02 1 187 . 34 HIS HA H 5.38 0.02 1 188 . 34 HIS HB2 H 3.39 0.02 1 189 . 34 HIS HB3 H 3.21 0.02 1 190 . 34 HIS HD2 H 7.52 0.02 1 191 . 34 HIS HE1 H 8.76 0.02 1 192 . 35 PRO HA H 4.49 0.02 1 193 . 35 PRO HB2 H 2.19 0.02 1 194 . 35 PRO HB3 H 1.96 0.02 1 195 . 35 PRO HG2 H 2.00 0.02 1 196 . 35 PRO HG3 H 1.78 0.02 1 197 . 35 PRO HD2 H 3.95 0.02 1 198 . 35 PRO HD3 H 3.63 0.02 1 199 . 36 THR H H 8.12 0.02 1 200 . 36 THR HA H 4.38 0.02 1 201 . 36 THR HB H 4.26 0.02 1 202 . 36 THR HG2 H 1.26 0.02 1 203 . 37 GLY H H 8.18 0.02 1 204 . 37 GLY HA2 H 4.03 0.02 1 205 . 37 GLY HA3 H 4.03 0.02 1 stop_ save_