data_6878 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 13C Chemical Shifts Assignemts for putative TM7 from V-ATPase subunit a ; _BMRB_accession_number 6878 _BMRB_flat_file_name bmr6878.str _Entry_type original _Submission_date 2005-10-25 _Accession_date 2005-10-26 _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 Duarte Afonso M.S. . 2 Wolfs Cor J.A.M. . 3 Nico 'van Nuland' A.J. . 4 Michael Harrison A. . 5 John Findlay B.C. . 6 Carlo 'van Mierlo' P.M. . 7 Marcus Hemminga A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 35 "13C chemical shifts" 14 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-03-28 original author . stop_ _Original_release_date 2007-03-28 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and localization of an essential transmembrane segment of the proton translocation channel of yeast H+-V-ATPase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16962559 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Duarte Afonso M. . 2 Wolfs Cor J. . 3 Nico 'van Nuland' A. . 4 Harrison Michael A. . 5 Findlay John B. . 6 'van Mierlo' Carlo P. . 7 Hemminga Marcus A. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_volume 1768 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 218 _Page_last 227 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MTM7 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MTM7 $V-ATPase_subunit_a_putative_TM7 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_V-ATPase_subunit_a_putative_TM7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MTM7 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'proton translocation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 37 _Mol_residue_sequence ; IHTIEFCLNCVSHTASYLRL WALSLAHAQLSSVLWTM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 717 ILE 2 718 HIS 3 719 THR 4 720 ILE 5 721 GLU 6 722 PHE 7 723 CYS 8 724 LEU 9 725 ASN 10 726 CYS 11 727 VAL 12 728 SER 13 729 HIS 14 730 THR 15 731 ALA 16 732 SER 17 733 TYR 18 734 LEU 19 735 ARG 20 736 LEU 21 737 TRP 22 738 ALA 23 739 LEU 24 740 SER 25 741 LEU 26 742 ALA 27 743 HIS 28 744 ALA 29 745 GLN 30 746 LEU 31 747 SER 32 748 SER 33 749 VAL 34 750 LEU 35 751 TRP 36 752 THR 37 753 MET 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 11056 KMTM7 56.76 25 100.00 100.00 1.42e-03 BMRB 15025 sMTM7 67.57 25 100.00 100.00 6.99e-08 PDB 2JTW "Solution Structure Of Tm7 Bound To Dpc Micelles" 56.76 25 100.00 100.00 1.42e-03 PDB 2NVJ "Nmr Structures Of Transmembrane Segment From Subunit A From The Yeast Proton V-Atpase" 67.57 25 100.00 100.00 6.99e-08 PDB 2RPW "Structure Of A Peptide Derived From H+-V-Atpase Subunit A" 56.76 25 100.00 100.00 1.42e-03 DBJ GAA26581 "K7_Vph1p [Saccharomyces cerevisiae Kyokai no. 7]" 100.00 840 100.00 100.00 2.37e-16 EMBL CAA61776 "vacuolar ATP synthase VPH1 [Saccharomyces cerevisiae]" 100.00 840 100.00 100.00 2.37e-16 EMBL CAA99494 "VPH1 [Saccharomyces cerevisiae]" 100.00 840 100.00 100.00 2.37e-16 EMBL CAG58212 "unnamed protein product [Candida glabrata]" 100.00 889 97.30 100.00 2.61e-16 EMBL CAG86124 "DEHA2C08712p [Debaryomyces hansenii CBS767]" 100.00 807 97.30 100.00 8.43e-16 EMBL CAR21534 "KLTH0B04268p [Lachancea thermotolerans CBS 6340]" 100.00 866 97.30 100.00 3.25e-15 GB AAA35211 "vacuolar H+-ATPase subunit [Saccharomyces cerevisiae]" 100.00 840 100.00 100.00 2.37e-16 GB ABN67012 "vacuolar ATPase V0 domain subunit a [Scheffersomyces stipitis CBS 6054]" 100.00 947 97.30 100.00 1.74e-16 GB AHY77549 "Vph1p [Saccharomyces cerevisiae YJM993]" 100.00 840 100.00 100.00 2.37e-16 GB EAZ63292 "V0 domain of vacuolar H+ATPase [Scheffersomyces stipitis CBS 6054]" 100.00 791 97.30 100.00 3.66e-15 GB EDK38766 "hypothetical protein PGUG_02864 [Meyerozyma guilliermondii ATCC 6260]" 100.00 951 97.30 100.00 2.86e-16 REF NP_014913 "H(+)-transporting V0 sector ATPase subunit a [Saccharomyces cerevisiae S288c]" 100.00 840 100.00 100.00 2.37e-16 REF XP_001385041 "vacuolar ATPase V0 domain subunit a [Scheffersomyces stipitis CBS 6054]" 100.00 947 97.30 100.00 1.74e-16 REF XP_001387315 "V0 domain of vacuolar H+ATPase [Scheffersomyces stipitis CBS 6054]" 100.00 791 97.30 100.00 3.66e-15 REF XP_001485135 "hypothetical protein PGUG_02864 [Meyerozyma guilliermondii ATCC 6260]" 100.00 951 97.30 100.00 2.94e-16 REF XP_002493339 "Subunit a of vacuolar-ATPase V0 domain, one of two isoforms (Vph1p and Stv1p) [Komagataella pastoris GS115]" 100.00 804 97.30 100.00 5.68e-15 SP P32563 "RecName: Full=V-type proton ATPase subunit a, vacuolar isoform; Short=V-ATPase a 1 subunit; AltName: Full=V-ATPase 95 kDa subun" 100.00 840 100.00 100.00 2.37e-16 TPG DAA11036 "TPA: H(+)-transporting V0 sector ATPase subunit a [Saccharomyces cerevisiae S288c]" 100.00 840 100.00 100.00 2.37e-16 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $V-ATPase_subunit_a_putative_TM7 yeast 4932 Eukaryota Metazoa Saccharomyces cerevisiae 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 $V-ATPase_subunit_a_putative_TM7 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_MTM7 _Saveframe_category sample _Sample_type solution _Details 'DMSO was used as solvent' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $V-ATPase_subunit_a_putative_TM7 2.0 nM . DMSO 100 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_750MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 750 _Details . save_ save_600MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $MTM7 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $MTM7 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $MTM7 save_ save_2D_1H-13C_HMBC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMBC' _Sample_label $MTM7 save_ save_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $MTM7 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details 'Sample is in DMSO so no pH measurment is possible.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH . . pH temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DMSO C 13 'methyl carbons' ppm 39.5 internal direct . . . 1.0 $citation_1 $citation_1 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $citation_1 $citation_1 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label TOCSY stop_ loop_ _Sample_label $MTM7 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name MTM7 _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 1 719 3 THR H H 8.07 . . 2 719 3 THR HA H 4.23 . . 3 719 3 THR CA C 60.00 . . 4 722 6 PHE H H 8.08 . . 5 722 6 PHE HA H 4.47 . . 6 722 6 PHE CA C 62.06 . . 7 725 9 ASN H H 7.90 . . 8 725 9 ASN HA H 4.59 . . 9 725 9 ASN CA C 56.32 . . 10 727 11 VAL H H 7.94 . . 11 727 11 VAL HA H 4.25 . . 12 729 13 HIS H H 8.14 . . 13 729 13 HIS HA H 4.65 . . 14 729 13 HIS CA C 61.64 . . 15 730 14 THR H H 7.81 . . 16 730 14 THR HA H 4.17 . . 17 731 15 ALA H H 8.17 . . 18 731 15 ALA HA H 4.28 . . 19 731 15 ALA CA C 56.80 . . 20 733 17 TYR H H 7.90 . . 21 733 17 TYR HA H 4.50 . . 22 733 17 TYR CA C 61.96 . . 23 735 19 ARG H H 7.67 . . 24 735 19 ARG HA H 4.13 . . 25 735 19 ARG CA C 60.18 . . 26 737 21 TRP H H 7.94 . . 27 737 21 TRP HA H 4.45 . . 28 737 21 TRP CA C 60.18 . . 29 738 22 ALA H H 8.06 . . 30 738 22 ALA HA H 4.29 . . 31 738 22 ALA CA C 56.80 . . 32 742 26 ALA H H 8.00 . . 33 742 26 ALA HA H 4.22 . . 34 742 26 ALA CA C 65.33 . . 35 743 27 HIS H H 8.01 . . 36 743 27 HIS HA H 4.49 . . 37 744 28 ALA H H 7.79 . . 38 744 28 ALA HA H 4.25 . . 39 744 28 ALA CA C 59.60 . . 40 745 29 GLN H H 8.20 . . 41 745 29 GLN HA H 4.21 . . 42 745 29 GLN CA C 66.60 . . 43 749 33 VAL H H 7.76 . . 44 750 34 LEU H H 8.12 . . 45 750 34 LEU HA H 4.54 . . 46 750 34 LEU CA C 57.90 . . 47 752 36 THR H H 7.72 . . 48 752 36 THR HA H 4.16 . . 49 752 36 THR CA C 61.80 . . stop_ save_