data_20079 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of the loopregion Tyr67 - Leu77 of visual arrestin in complex with lightactivated rhodopsin ; _BMRB_accession_number 20079 _BMRB_flat_file_name bmr20079.str _Entry_type new _Submission_date 2009-03-29 _Accession_date 2009-03-29 _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 Feuerstein Sophie E. . 2 Hartmann Rudolf . . 3 Koenig Bernd W. . 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 2010-01-07 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Helix formation in arrestin accompanies recognition of photoactivated rhodopsin.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19835414 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feuerstein Sophie E. . 2 Pulvermuller Alexander . . 3 Hartmann Rudolf . . 4 Granzin Joachim . . 5 Stoldt Matthias . . 6 Henklein Peter . . 7 Ernst Oliver P. . 8 Heck Martin . . 9 Willbold Dieter . . 10 Koenig Bernd W. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 48 _Journal_issue 45 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10733 _Page_last 10742 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name rhodopsin-jue11-complex _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Arr67_77 $Arr67_77 rhodopsin $rhodopsin 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_Arr67_77 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Arr67_77 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 11 _Mol_residue_sequence YGQEDIDVMGL loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 67 TYR 2 68 GLY 3 69 GLN 4 70 GLU 5 71 ASP 6 72 ILE 7 73 ASP 8 74 VAL 9 75 MET 10 76 GLY 11 77 LEU 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 $Arr67_77 cow 9913 Eukaryota Metazoa Bos taurus 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 $Arr67_77 'recombinant technology' . . . . . 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 $Arr67_77 2 mM 'natural abundance' $rhodopsin 50 uM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'potassium chloride' 20 mM 'natural abundance' D2O 10 v/v 'natural abundance' H2O 90 v/v 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Arr67_77 1 mM 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' 'potassium chloride' 20 mM 'natural abundance' D2O 10 v/v 'natural abundance' H2O 90 v/v 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_Molmol _Saveframe_category software _Name Molmol _Version . loop_ _Vendor _Address _Electronic_address 'Koradi, Billeter and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_T-ROESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name T-ROESY _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 283 . K pH 6.6 . pH pressure 1.0 . atm 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' '2D 1H-1H TOCSY' T-ROESY stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Arr67_77 _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 1 TYR HA H 4.138 0.020 1 2 67 1 TYR HB2 H 3.054 0.020 1 3 67 1 TYR HB3 H 3.054 0.020 1 4 67 1 TYR HD1 H 7.109 0.020 1 5 67 1 TYR HD2 H 7.109 0.020 1 6 67 1 TYR HE1 H 6.822 0.020 1 7 67 1 TYR HE2 H 6.822 0.020 1 8 68 2 GLY H H 8.803 0.020 1 9 68 2 GLY HA2 H 3.938 0.020 2 10 68 2 GLY HA3 H 3.851 0.020 2 11 69 3 GLN H H 8.547 0.020 1 12 69 3 GLN HA H 4.212 0.020 1 13 69 3 GLN HB2 H 2.063 0.020 2 14 69 3 GLN HB3 H 1.973 0.020 2 15 69 3 GLN HE21 H 6.887 0.020 1 16 69 3 GLN HE22 H 7.712 0.020 1 17 69 3 GLN HG2 H 2.323 0.020 1 18 69 3 GLN HG3 H 2.323 0.020 1 19 70 4 GLU H H 8.698 0.020 1 20 70 4 GLU HA H 4.221 0.020 1 21 70 4 GLU HB2 H 2.003 0.020 2 22 70 4 GLU HB3 H 1.891 0.020 2 23 70 4 GLU HG2 H 2.228 0.020 1 24 70 4 GLU HG3 H 2.228 0.020 1 25 71 5 ASP H H 8.250 0.020 1 26 71 5 ASP HA H 4.532 0.020 1 27 71 5 ASP HB2 H 2.659 0.020 2 28 71 5 ASP HB3 H 2.537 0.020 2 29 72 6 ILE H H 7.934 0.020 1 30 72 6 ILE HA H 4.058 0.020 1 31 72 6 ILE HB H 1.819 0.020 1 32 72 6 ILE HD1 H 0.834 0.020 1 33 72 6 ILE HG12 H 1.394 0.020 1 34 72 6 ILE HG13 H 1.394 0.020 1 35 72 6 ILE HG2 H 1.113 0.020 1 36 73 7 ASP H H 8.422 0.020 1 37 73 7 ASP HA H 4.558 0.020 1 38 73 7 ASP HB2 H 2.662 0.020 2 39 73 7 ASP HB3 H 2.559 0.020 2 40 74 8 VAL H H 8.055 0.020 1 41 74 8 VAL HA H 4.067 0.020 1 42 74 8 VAL HB H 2.120 0.020 1 43 74 8 VAL HG1 H 0.889 0.020 1 44 74 8 VAL HG2 H 0.889 0.020 1 45 75 9 MET H H 8.374 0.020 1 46 75 9 MET HA H 4.425 0.020 1 47 75 9 MET HB2 H 2.039 0.020 1 48 75 9 MET HB3 H 2.039 0.020 1 49 75 9 MET HE H 2.614 0.020 1 50 75 9 MET HG2 H 2.503 0.020 1 51 75 9 MET HG3 H 2.503 0.020 1 52 76 10 GLY H H 8.362 0.020 1 53 76 10 GLY HA2 H 3.927 0.020 2 54 76 10 GLY HA3 H 3.834 0.020 2 55 77 11 LEU H H 7.763 0.020 1 56 77 11 LEU HA H 4.148 0.020 1 57 77 11 LEU HB2 H 1.566 0.020 2 58 77 11 LEU HB3 H 1.532 0.020 2 59 77 11 LEU HD1 H 0.832 0.020 1 60 77 11 LEU HD2 H 0.832 0.020 1 stop_ save_