data_17377 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the MFS-bound Sans CEN2 peptide ; _BMRB_accession_number 17377 _BMRB_flat_file_name bmr17377.str _Entry_type original _Submission_date 2010-12-22 _Accession_date 2010-12-22 _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 Pan Lifeng . . 2 Wu Lin . . 3 Wei Zhiyi . . 4 Zhang Mingjie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 60 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-10-31 update BMRB 'delete the outliers 0.0 of H and N of a few residues' 2011-02-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of MyTH4-FERM Domains in Myosin VIIa Tail Bound to Cargo.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21311020 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Lin . . 2 Pan Lifeng . . 3 Wei Zhiyi . . 4 Zhang Mingjie . . stop_ _Journal_abbreviation Science _Journal_name_full 'Science (New York, N.Y.)' _Journal_volume 331 _Journal_issue 6018 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 757 _Page_last 760 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Sans CEN2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Sans CEN2' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 1315.396 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 11 _Mol_residue_sequence EELPWDELDLG loop_ _Residue_seq_code _Residue_label 1 GLU 2 GLU 3 LEU 4 PRO 5 TRP 6 ASP 7 GLU 8 LEU 9 ASP 10 LEU 11 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity . . . . . . 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 $entity '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 'sodium chloride' 50 mM 'natural abundance' DTT 1 mM 'natural abundance' EDTA 1 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 . K pH 6.5 . pH pressure 1 . atm 'ionic strength' 0.1 . M 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Sans CEN2' _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 GLU HA H 4.3630 . 1 2 2 2 GLU HB2 H 1.8860 . . 3 2 2 GLU HB3 H 2.0190 . 2 4 2 2 GLU HG2 H 2.4340 . . 5 2 2 GLU HG3 H 2.2200 . 2 6 3 3 LEU H H 8.4390 . 1 7 3 3 LEU HA H 4.5420 . 1 8 3 3 LEU HB2 H 1.4900 . . 9 3 3 LEU HB3 H 1.2710 . 2 10 3 3 LEU HG H 1.6060 . 1 11 3 3 LEU HD1 H 0.8360 . . 12 3 3 LEU HD2 H 0.8880 . . 13 4 4 PRO HA H 4.3980 . 1 14 4 4 PRO HB2 H 1.8680 . . 15 4 4 PRO HB3 H 2.2170 . 2 16 4 4 PRO HG2 H 1.9280 . . 17 4 4 PRO HG3 H 1.9280 . . 18 4 4 PRO HD2 H 3.7300 . . 19 4 4 PRO HD3 H 3.4120 . 2 20 5 5 TRP H H 7.9310 . 1 21 5 5 TRP HA H 4.5900 . 1 22 5 5 TRP HB2 H 3.2680 . . 23 5 5 TRP HB3 H 3.2680 . . 24 5 5 TRP HD1 H 7.2270 . 1 25 5 5 TRP HE1 H 10.1300 . 1 26 5 5 TRP HE3 H 7.6010 . 1 27 5 5 TRP HZ2 H 7.4340 . 1 28 5 5 TRP HZ3 H 7.1100 . 1 29 5 5 TRP HH2 H 7.1740 . 1 30 6 6 ASP H H 8.0590 . 1 31 6 6 ASP HA H 4.4410 . 1 32 6 6 ASP HB2 H 2.4370 . . 33 6 6 ASP HB3 H 2.4370 . . 34 7 7 GLU H H 7.9970 . 1 35 7 7 GLU HA H 4.1070 . 1 36 7 7 GLU HB2 H 1.8340 . . 37 7 7 GLU HB3 H 2.0200 . 2 38 7 7 GLU HG2 H 2.1680 . . 39 7 7 GLU HG3 H 2.1680 . . 40 8 8 LEU H H 8.0110 . 1 41 8 8 LEU HA H 4.2370 . 1 42 8 8 LEU HB2 H 1.6080 . . 43 8 8 LEU HB3 H 1.5550 . 2 44 8 8 LEU HG H 1.5020 . 1 45 8 8 LEU HD1 H 0.8297 . . 46 8 8 LEU HD2 H 0.8770 . . 47 9 9 ASP H H 8.2130 . 1 48 9 9 ASP HA H 4.5810 . 1 49 9 9 ASP HB2 H 2.7260 . . 50 9 9 ASP HB3 H 2.5430 . 2 51 10 10 LEU H H 8.1800 . 1 52 10 10 LEU HA H 4.2760 . 1 53 10 10 LEU HB2 H 1.6280 . . 54 10 10 LEU HB3 H 1.6060 . 2 55 10 10 LEU HG H 1.6230 . 1 56 10 10 LEU HD1 H 0.8200 . . 57 10 10 LEU HD2 H 0.8940 . . 58 11 11 GLY H H 8.4240 . 1 59 11 11 GLY HA2 H 3.8530 . . 60 11 11 GLY HA3 H 3.9220 . 2 stop_ save_