data_16415 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H NMR and fluorescence studies of the complexation of DMPG by wheat non-specific lipid transfer protein. Global fold of the complex ; _BMRB_accession_number 16415 _BMRB_flat_file_name bmr16415.str _Entry_type original _Submission_date 2009-07-23 _Accession_date 2009-07-23 _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 Sodano Patrick . . 2 Caille Anita . . 3 Sy Denise . . 4 'de Person' Gregoire . . 5 Marion Didier . . 6 Ptak Marius . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count 'binding constants' 1 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-08 original author . stop_ _Original_release_date 2010-03-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H NMR and fluorescence studies of the complexation of DMPG by wheat non-specific lipid transfer protein. Global fold of the complex' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 9369197 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sodano Patrick . . 2 Caille Anita . . 3 Sy Denise . . 4 'de Person' Gregoire . . 5 Marion Didier . . 6 Ptak Marius . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 1 _Journal_issue 416 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 130 _Page_last 134 _Year 1997 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'ns-LTP-DMPG complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ns-LTP $ns-LTP DMPG $DMPG stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ns-LTP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ns-LTP _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count . _Mol_residue_sequence ; IDCGHVDSLVRPCLSYVQGG PGPSGQCCDGVKNLHNQARS QSDRQSACNCLKGIARGIHN LNEDNARSIPPKCGVNLPYT ISLNIDCSRV ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 ASP 3 CYS 4 GLY 5 HIS 6 VAL 7 ASP 8 SER 9 LEU 10 VAL 11 ARG 12 PRO 13 CYS 14 LEU 15 SER 16 TYR 17 VAL 18 GLN 19 GLY 20 GLY 21 PRO 22 GLY 23 PRO 24 SER 25 GLY 26 GLN 27 CYS 28 CYS 29 ASP 30 GLY 31 VAL 32 LYS 33 ASN 34 LEU 35 HIS 36 ASN 37 GLN 38 ALA 39 ARG 40 SER 41 GLN 42 SER 43 ASP 44 ARG 45 GLN 46 SER 47 ALA 48 CYS 49 ASN 50 CYS 51 LEU 52 LYS 53 GLY 54 ILE 55 ALA 56 ARG 57 GLY 58 ILE 59 HIS 60 ASN 61 LEU 62 ASN 63 GLU 64 ASP 65 ASN 66 ALA 67 ARG 68 SER 69 ILE 70 PRO 71 PRO 72 LYS 73 CYS 74 GLY 75 VAL 76 ASN 77 LEU 78 PRO 79 TYR 80 THR 81 ILE 82 SER 83 LEU 84 ASN 85 ILE 86 ASP 87 CYS 88 SER 89 ARG 90 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-12-04 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 2065 "phospholipid transfer protein" 100.00 90 100.00 100.00 5.23e-57 BMRB 4383 wheat_ns-LTP 100.00 90 100.00 100.00 5.23e-57 BMRB 4932 ns-LTP_monomer 100.00 90 100.00 100.00 5.23e-57 PDB 1BWO "The Crystal Structure Of Wheat Non-Specific Transfer Protein Complexed With Two Molecules Of Phospholipid At 2.1 A Resolution" 100.00 90 100.00 100.00 5.23e-57 PDB 1CZ2 "Solution Structure Of Wheat Ns-Ltp Complexed With Prostaglandin B2" 98.89 90 100.00 100.00 2.46e-56 PDB 1GH1 "Nmr Structures Of Wheat Nonspecific Lipid Transfer Protein" 100.00 90 100.00 100.00 5.23e-57 EMBL CAA45210 "lipid transfer protein [Triticum durum]" 100.00 113 100.00 100.00 2.93e-58 EMBL CAH69187 "type 1 non specific lipid transfer protein precursor [Triticum aestivum]" 100.00 116 100.00 100.00 1.84e-58 GB AAB22334 "non-specific phospholipid transfer protein, nsPLTP [Tricum aestivum=wheat, var. Camp Remy, seeds, Peptide, 90 aa]" 100.00 90 100.00 100.00 5.23e-57 GB AAN75627 "lipid transfer protein 1 precursor [Triticum aestivum]" 100.00 116 100.00 100.00 1.84e-58 PIR S22528 "lipid transfer protein precursor - durum wheat (fragment)" 100.00 113 100.00 100.00 2.93e-58 PRF 1814270A "phospholipid transfer protein" 100.00 90 100.00 100.00 5.23e-57 SP P24296 "RecName: Full=Non-specific lipid-transfer protein; Short=LTP; AltName: Full=Phospholipid transfer protein; Short=PLTP; AltName:" 100.00 113 100.00 100.00 2.93e-58 stop_ save_ ############# # Ligands # ############# save_LHG _Saveframe_category ligand _Mol_type non-polymer _Name_common DMPG _Molecular_mass . _Details 1,2-dimyristoylphosphatidylglycerol _Mol_thiol_state 'not reported' _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Details $ns-LTP 'bread wheat' 4565 Eukaryota Viridiplantae Triticum aestivum 'wheat seeds' 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 $ns-LTP 'purified from the natural source' . Triticum aestivum . na 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 $ns-LTP 3 mM 'natural abundance' $DMPG 0.6 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ns-LTP 3 mM 'natural abundance' $DMPG 1.2 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ns-LTP 3 mM 'natural abundance' $DMPG 1.8 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ns-LTP 3 mM 'natural abundance' $DMPG 2.4 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ns-LTP 3 mM 'natural abundance' $DMPG 3 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ns-LTP 3 mM 'natural abundance' $DMPG 3.6 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_DIANA _Saveframe_category software _Name DIANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SYBYL _Saveframe_category software _Name SYBYL _Version . loop_ _Vendor _Address _Electronic_address Tripos . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model na _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_4 save_ save_2D_1H-1H_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_5 save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_6 save_ save_1D_1H_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H' _Sample_label $sample_1 save_ save_1D_1H_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H' _Sample_label $sample_2 save_ save_1D_1H_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H' _Sample_label $sample_3 save_ save_1D_1H_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H' _Sample_label $sample_4 save_ save_1D_1H_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H' _Sample_label $sample_5 save_ save_1D_1H_12 _Saveframe_category NMR_applied_experiment _Experiment_name '1D 1H' _Sample_label $sample_6 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6 . pH pressure 1 . atm temperature 308 . K stop_ save_