data_15171 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; H1 chemical shift assignment of putative membrane-anchoring domain of alMGS (S65-L87) ; _BMRB_accession_number 15171 _BMRB_flat_file_name bmr15171.str _Entry_type original _Submission_date 2007-03-11 _Accession_date 2007-03-11 _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 Lind Jesper . . 2 Barany-Wallje Elsa . . 3 Maler Lena . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 3 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 208 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-06-06 original author . stop_ _Original_release_date 2007-06-06 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'High cationic charge and bilayer interface-binding helices in a regulatory lipid glycosyltransferase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17444657 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lind Jesper . . 2 Ramo Tuulia . . 3 'Rosen Klement' Maria . . 4 Barany-Wallje Elsa . . 5 Epand Richard M. . 6 Epand Raquel F. . 7 Maler Lena . . 8 Wieslander Ake . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 19 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5664 _Page_last 5677 _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'enzyme alMGS' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'S65-L87 binding domain of alMGS' $alMGS 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_alMGS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alMGS _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 23 _Mol_residue_sequence ; SLKGFRLVLFVKRYVRKMRK LKL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 65 SER 2 66 LEU 3 67 LYS 4 68 GLY 5 69 PHE 6 70 ARG 7 71 LEU 8 72 VAL 9 73 LEU 10 74 PHE 11 75 VAL 12 76 LYS 13 77 ARG 14 78 TYR 15 79 VAL 16 80 ARG 17 81 LYS 18 82 MET 19 83 ARG 20 84 LYS 21 85 LEU 22 86 LYS 23 87 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-05 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 1Z2T "Nmr Structure Study Of Anchor Peptide Ser65-Leu87 Of Enzyme Acholeplasma Laidlawii Monoglycosyldiacyl Glycerol Synthase (Almgs)" 100.00 23 100.00 100.00 2.46e-04 GB AAK38877 "1,2-diacylglycerol 3-glucosyltransferase [Acholeplasma laidlawii]" 100.00 398 100.00 100.00 4.98e-04 SP Q93P60 "RecName: Full=Alpha-monoglucosyldiacylglycerol synthase; Short=Alpha-MGS; Short=MGlcDAG synthase; AltName: Full=1,2-Diacylglyce" 100.00 398 100.00 100.00 4.98e-04 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $alMGS . 2148 Bacteria . Acholeplasma laidlawii 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 $alMGS 'chemical synthesis' . Acholeplasma laidlawii . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_alMGS_in_DHPC _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alMGS 1 mM 'natural abundance' stop_ save_ save_alMGS_in_NeutralBicelle _Saveframe_category sample _Sample_type solution _Details 'Neutral Bicelle' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alMGS 1 mM 'natural abundance' DMPC 50 mM 'natural abundance' DHPC 200 mM 'natural abundance' 'phosphate buffer' 50 mM 'natural abundance' stop_ save_ save_alMGS_in_ChargedBicelle _Saveframe_category sample _Sample_type solution _Details 'Charged Bicelle' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $alMGS 1 mM 'natural abundance' DMPC 45 mM 'natural abundance' DMPG 5 mM 'natural abundance' DHPC 200 mM 'natural abundance' 'phosphate buffer' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address Accelrys . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $alMGS_in_DHPC save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $alMGS_in_DHPC save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $alMGS_in_NeutralBicelle save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $alMGS_in_NeutralBicelle save_ save_2D_1H-1H_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $alMGS_in_ChargedBicelle save_ save_2D_1H-1H_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $alMGS_in_ChargedBicelle save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 5.7 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_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 TSP H 1 protons ppm 0 external direct . 'separate tube (no insert) similar to the experimental sample tube' . 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $alMGS_in_DHPC stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'S65-L87 binding domain of alMGS' _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 67 3 LYS H H 8.36 0.02 1 2 67 3 LYS HA H 4.16 0.02 1 3 67 3 LYS HB2 H 1.82 0.02 2 4 67 3 LYS HB3 H 1.71 0.02 2 5 67 3 LYS HG2 H 1.52 0.02 2 6 67 3 LYS HG3 H 1.43 0.02 2 7 67 3 LYS HE2 H 3.02 0.02 2 8 68 4 GLY H H 8.44 0.02 1 9 68 4 GLY HA2 H 3.99 0.02 1 10 68 4 GLY HA3 H 3.81 0.02 1 11 69 5 PHE H H 8.25 0.02 1 12 69 5 PHE HA H 4.32 0.02 1 13 69 5 PHE HB2 H 3.22 0.02 2 14 69 5 PHE HB3 H 3.19 0.02 2 15 69 5 PHE HD1 H 7.19 0.02 3 16 69 5 PHE HE1 H 7.25 0.02 3 17 70 6 ARG H H 8.30 0.02 1 18 70 6 ARG HA H 3.94 0.02 1 19 70 6 ARG HB2 H 1.93 0.02 2 20 70 6 ARG HB3 H 1.87 0.02 2 21 70 6 ARG HG2 H 1.72 0.02 2 22 70 6 ARG HG3 H 1.63 0.02 2 23 70 6 ARG HD2 H 2.95 0.02 2 24 71 7 LEU H H 7.92 0.02 1 25 71 7 LEU HA H 4.17 0.02 1 26 71 7 LEU HB2 H 1.87 0.02 2 27 71 7 LEU HB3 H 1.74 0.02 2 28 71 7 LEU HG H 1.64 0.02 1 29 72 8 VAL H H 7.90 0.02 1 30 72 8 VAL HA H 3.53 0.02 1 31 72 8 VAL HB H 2.22 0.02 1 32 72 8 VAL HG1 H 1.07 0.02 2 33 72 8 VAL HG2 H 0.94 0.02 2 34 73 9 LEU H H 7.84 0.02 1 35 73 9 LEU HA H 3.95 0.02 1 36 73 9 LEU HB2 H 1.60 0.02 2 37 73 9 LEU HG H 1.55 0.02 1 38 73 9 LEU HD1 H 0.88 0.02 2 39 74 10 PHE H H 8.07 0.02 1 40 74 10 PHE HA H 4.26 0.02 1 41 74 10 PHE HB2 H 3.35 0.02 2 42 74 10 PHE HB3 H 3.30 0.02 2 43 74 10 PHE HD1 H 7.15 0.02 3 44 74 10 PHE HE1 H 7.22 0.02 3 45 75 11 VAL H H 8.40 0.02 1 46 75 11 VAL HA H 3.57 0.02 1 47 75 11 VAL HB H 2.28 0.02 1 48 75 11 VAL HG1 H 1.15 0.02 2 49 75 11 VAL HG2 H 0.94 0.02 2 50 76 12 LYS H H 8.41 0.02 1 51 76 12 LYS HA H 3.92 0.02 1 52 76 12 LYS HB2 H 1.93 0.02 2 53 76 12 LYS HB3 H 1.60 0.02 2 54 76 12 LYS HG2 H 1.48 0.02 2 55 77 13 ARG H H 7.91 0.02 1 56 77 13 ARG HA H 3.92 0.02 1 57 77 13 ARG HB2 H 1.80 0.02 2 58 77 13 ARG HB3 H 1.87 0.02 2 59 77 13 ARG HG2 H 1.63 0.02 2 60 78 14 TYR H H 8.06 0.02 1 61 78 14 TYR HA H 4.16 0.02 1 62 78 14 TYR HB2 H 3.00 0.02 2 63 78 14 TYR HB3 H 2.65 0.02 2 64 78 14 TYR HD1 H 6.91 0.02 3 65 78 14 TYR HD2 H 6.74 0.02 3 66 79 15 VAL H H 8.29 0.02 1 67 79 15 VAL HA H 3.75 0.02 1 68 79 15 VAL HB H 2.25 0.02 1 69 79 15 VAL HG1 H 1.09 0.02 2 70 79 15 VAL HG2 H 1.00 0.02 2 71 80 16 ARG H H 7.84 0.02 1 72 80 16 ARG HA H 4.10 0.02 1 73 80 16 ARG HB2 H 1.90 0.02 2 74 80 16 ARG HB3 H 1.76 0.02 2 75 80 16 ARG HG2 H 1.66 0.02 2 76 80 16 ARG HG3 H 1.64 0.02 2 77 80 16 ARG HD2 H 3.20 0.02 2 78 80 16 ARG HH11 H 7.31 0.02 2 79 81 17 LYS H H 7.73 0.02 1 80 81 17 LYS HA H 4.19 0.02 1 81 81 17 LYS HB2 H 1.83 0.02 2 82 81 17 LYS HG2 H 1.47 0.02 2 83 81 17 LYS HG3 H 1.39 0.02 2 84 81 17 LYS HD2 H 1.64 0.02 2 85 82 18 MET H H 7.93 0.02 1 86 82 18 MET HA H 4.32 0.02 1 87 82 18 MET HB2 H 2.03 0.02 2 88 82 18 MET HB3 H 2.06 0.02 2 89 82 18 MET HG2 H 2.50 0.02 2 90 82 18 MET HG3 H 2.41 0.02 2 91 83 19 ARG H H 7.95 0.02 1 92 83 19 ARG HA H 4.26 0.02 1 93 83 19 ARG HB2 H 1.91 0.02 2 94 83 19 ARG HB3 H 1.82 0.02 2 95 83 19 ARG HG2 H 1.74 0.02 2 96 83 19 ARG HD2 H 3.19 0.02 2 97 83 19 ARG HH11 H 7.31 0.02 2 98 84 20 LYS H H 7.99 0.02 1 99 84 20 LYS HA H 4.26 0.02 1 100 84 20 LYS HB2 H 1.89 0.02 2 101 84 20 LYS HB3 H 1.81 0.02 2 102 84 20 LYS HG2 H 1.50 0.02 2 103 84 20 LYS HD2 H 1.72 0.02 2 104 84 20 LYS HE2 H 3.02 0.02 2 105 84 20 LYS HZ H 7.31 0.02 1 106 85 21 LEU H H 7.96 0.02 1 107 85 21 LEU HA H 4.34 0.02 1 108 85 21 LEU HB2 H 1.66 0.02 2 109 85 21 LEU HG H 1.58 0.02 1 110 85 21 LEU HD1 H 0.88 0.02 2 111 85 21 LEU HD2 H 0.93 0.02 2 112 86 22 LYS H H 8.08 0.02 1 113 86 22 LYS HA H 4.35 0.02 1 114 86 22 LYS HB2 H 1.86 0.02 2 115 86 22 LYS HB3 H 1.74 0.02 2 116 86 22 LYS HG2 H 1.44 0.02 2 117 86 22 LYS HD2 H 1.71 0.02 2 118 86 22 LYS HE2 H 3.02 0.02 2 119 87 23 LEU H H 7.81 0.02 1 120 87 23 LEU HA H 4.21 0.02 1 121 87 23 LEU HB2 H 1.60 0.02 2 122 87 23 LEU HD1 H 0.93 0.02 2 123 87 23 LEU HD2 H 0.88 0.02 2 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $alMGS_in_NeutralBicelle stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'S65-L87 binding domain of alMGS' _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 67 3 LYS H H 8.31 0.02 1 2 67 3 LYS HA H 4.25 0.02 1 3 68 4 GLY H H 8.46 0.02 1 4 68 4 GLY HA2 H 3.90 0.02 1 5 69 5 PHE H H 8.24 0.02 1 6 69 5 PHE HA H 4.47 0.02 1 7 70 6 ARG H H 8.24 0.02 1 8 70 6 ARG HA H 4.09 0.02 1 9 71 7 LEU H H 8.10 0.02 1 10 71 7 LEU HA H 4.13 0.02 1 11 72 8 VAL H H 7.89 0.02 1 12 72 8 VAL HA H 3.55 0.02 1 13 73 9 LEU H H 7.65 0.02 1 14 73 9 LEU HA H 3.99 0.02 1 15 74 10 PHE H H 7.95 0.02 1 16 74 10 PHE HA H 4.30 0.02 1 17 75 11 VAL H H 8.25 0.02 1 18 75 11 VAL HA H 3.57 0.02 1 19 76 12 LYS H H 8.39 0.02 1 20 76 12 LYS HA H 3.89 0.02 1 21 77 13 ARG H H 7.87 0.02 1 22 77 13 ARG HA H 3.95 0.02 1 23 78 14 TYR H H 7.94 0.02 1 24 78 14 TYR HA H 4.12 0.02 1 25 79 15 VAL H H 8.31 0.02 1 26 79 15 VAL HA H 3.70 0.02 1 27 80 16 ARG H H 7.81 0.02 1 28 80 16 ARG HA H 4.06 0.02 1 29 81 17 LYS H H 7.67 0.02 1 30 81 17 LYS HA H 4.14 0.02 1 31 82 18 MET H H 7.95 0.02 1 32 82 18 MET HA H 4.25 0.02 1 33 83 19 ARG H H 7.91 0.02 1 34 83 19 ARG HA H 4.25 0.02 1 35 84 20 LYS H H 7.91 0.02 1 36 84 20 LYS HA H 4.25 0.02 1 37 85 21 LEU H H 7.95 0.02 1 38 85 21 LEU HA H 4.25 0.02 1 39 86 22 LYS H H 8.06 0.02 1 40 86 22 LYS HA H 4.25 0.02 1 41 87 23 LEU H H 7.79 0.02 1 42 87 23 LEU HA H 4.22 0.02 1 stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $alMGS_in_ChargedBicelle stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'S65-L87 binding domain of alMGS' _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 67 3 LYS H H 8.29 0.02 1 2 67 3 LYS HA H 4.19 0.02 1 3 68 4 GLY H H 8.43 0.02 1 4 68 4 GLY HA2 H 3.94 0.02 1 5 68 4 GLY HA3 H 3.80 0.02 1 6 69 5 PHE H H 8.21 0.02 1 7 69 5 PHE HA H 4.41 0.02 1 8 70 6 ARG H H 8.23 0.02 1 9 70 6 ARG HA H 4.04 0.02 1 10 71 7 LEU H H 8.07 0.02 1 11 71 7 LEU HA H 4.11 0.02 1 12 72 8 VAL H H 7.87 0.02 1 13 72 8 VAL HA H 3.51 0.02 1 14 73 9 LEU H H 7.64 0.02 1 15 73 9 LEU HA H 3.96 0.02 1 16 74 10 PHE H H 7.88 0.02 1 17 74 10 PHE HA H 4.22 0.02 1 18 75 11 VAL H H 8.22 0.02 1 19 75 11 VAL HA H 3.55 0.02 1 20 76 12 LYS H H 8.38 0.02 1 21 76 12 LYS HA H 3.85 0.02 1 22 77 13 ARG H H 7.85 0.02 1 23 77 13 ARG HA H 3.92 0.02 1 24 78 14 TYR H H 7.91 0.02 1 25 78 14 TYR HA H 4.09 0.02 1 26 79 15 VAL H H 8.29 0.02 1 27 79 15 VAL HA H 3.69 0.02 1 28 80 16 ARG H H 7.77 0.02 1 29 80 16 ARG HA H 4.02 0.02 1 30 81 17 LYS H H 7.63 0.02 1 31 81 17 LYS HA H 4.11 0.02 1 32 82 18 MET H H 7.87 0.02 1 33 82 18 MET HA H 4.22 0.02 1 34 83 19 ARG H H 7.86 0.02 1 35 83 19 ARG HA H 4.22 0.02 1 36 84 20 LYS H H 7.88 0.02 1 37 84 20 LYS HA H 4.22 0.02 1 38 85 21 LEU H H 7.84 0.02 1 39 85 21 LEU HA H 4.28 0.02 1 40 86 22 LYS H H 8.02 0.02 1 41 86 22 LYS HA H 4.32 0.02 1 42 87 23 LEU H H 7.76 0.02 1 43 87 23 LEU HA H 4.16 0.02 1 stop_ save_