data_50169 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DnaJB1 J-domain ; _BMRB_accession_number 50169 _BMRB_flat_file_name bmr50169.str _Entry_type original _Submission_date 2020-01-26 _Accession_date 2020-01-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'H(N), N(H), CA, CB, CO chemical shifts of DnaJB1 J-domain' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rosenzweig Rina . . 2 Abayev-Avraham Meital . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 66 "15N chemical shifts" 66 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-11-17 update author 'update entry citation' 2020-11-11 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 50167 'DnaJB1 J-domain+G/F rich region' 50168 'J-domain region of DnaJA2' stop_ _Original_release_date 2020-01-27 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Hsp40s employ class-specific regulation to drive Hsp70 functional diversity ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 33177718 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Faust Ofrah . . 2 Abayev-Avraham Meital . . 3 Wentink Anne . . 4 Maurer Michael . . 5 Nillegoda Nadinath B. . 6 London Nir . . 7 Bukau Bernd . . 8 Rosenzweig Rina . . stop_ _Journal_abbreviation Nature _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . loop_ _Keyword 'Hsp40, Hsp70, DnaJB1, Chaperone' stop_ save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'DnaJB1 J-domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DnaJB1 J-domain' $entity_1_J-domain_of_DnaJB1 stop_ _System_molecular_weight 8338 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1_J-domain_of_DnaJB1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'J-domain of DnaJB1' _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Heat Shock Protein from the J-domain family (Hsp40). Chaperone' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 71 _Mol_residue_sequence ; GKDYYQTLGLARGASDEEIK RAYRRQALRYHPDKNKEPGA EEKFKEIAEAYDVLSDPRKR EIFDRYGEEGL ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 LYS 3 ASP 4 TYR 5 TYR 6 GLN 7 THR 8 LEU 9 GLY 10 LEU 11 ALA 12 ARG 13 GLY 14 ALA 15 SER 16 ASP 17 GLU 18 GLU 19 ILE 20 LYS 21 ARG 22 ALA 23 TYR 24 ARG 25 ARG 26 GLN 27 ALA 28 LEU 29 ARG 30 TYR 31 HIS 32 PRO 33 ASP 34 LYS 35 ASN 36 LYS 37 GLU 38 PRO 39 GLY 40 ALA 41 GLU 42 GLU 43 LYS 44 PHE 45 LYS 46 GLU 47 ILE 48 ALA 49 GLU 50 ALA 51 TYR 52 ASP 53 VAL 54 LEU 55 SER 56 ASP 57 PRO 58 ARG 59 LYS 60 ARG 61 GLU 62 ILE 63 PHE 64 ASP 65 ARG 66 TYR 67 GLY 68 GLU 69 GLU 70 GLY 71 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1_J-domain_of_DnaJB1 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1_J-domain_of_DnaJB1 'recombinant technology' . . . . plasmid pPET29b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '2mM 15N, 13C-DnaJB1 J-domain, in 50mM HEPES buffer pH 7.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1_J-domain_of_DnaJB1 2 mM '[U-15N; U-13C]' HEPES 50 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 4.0.6 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_software_2_CcpNMR _Saveframe_category software _Name CcpNMR _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_2_14.1T _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details '600 MHz Bruker spectrometers.' save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCACO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'Hepes buffer' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1_Reference_1 _Saveframe_category chemical_shift_reference _Details '1H(N), 15N(H), 13C: CO,CA, CB' 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 C 13 'methyl carbons' ppm 2.71 internal direct . . . 1 DSS H 1 'methyl protons' ppm 0.08 internal direct . . . 1 na N 15 nitrogen ppm 0 external indirect . . . 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_assigned_chemical_shifts_1_B1JD_BMRB _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HCACO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1_Reference_1 _Mol_system_component_name 'DnaJB1 J-domain' _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 LYS H H 8.032 0.000 1 2 2 2 LYS N N 120.794 0.000 1 3 3 3 ASP H H 8.313 0.000 1 4 3 3 ASP N N 120.650 0.000 1 5 4 4 TYR H H 6.250 0.000 1 6 4 4 TYR N N 121.655 0.000 1 7 5 5 TYR H H 7.762 0.000 1 8 5 5 TYR N N 114.278 0.000 1 9 6 6 GLN H H 7.816 0.000 1 10 6 6 GLN N N 121.016 0.000 1 11 7 7 THR H H 8.169 0.000 1 12 7 7 THR N N 118.049 0.000 1 13 8 8 LEU H H 6.962 0.000 1 14 8 8 LEU N N 115.868 0.000 1 15 9 9 GLY H H 7.962 0.000 1 16 9 9 GLY N N 109.197 0.000 1 17 10 10 LEU H H 8.044 0.000 1 18 10 10 LEU N N 119.587 0.000 1 19 11 11 ALA H H 8.036 0.000 1 20 11 11 ALA N N 122.143 0.000 1 21 12 12 ARG H H 7.914 0.007 1 22 12 12 ARG N N 118.082 0.000 1 23 13 13 GLY H H 7.570 0.000 1 24 13 13 GLY N N 109.045 0.000 1 25 14 14 ALA H H 7.130 0.000 1 26 14 14 ALA N N 122.031 0.000 1 27 15 15 SER H H 8.921 0.000 1 28 15 15 SER N N 118.247 0.000 1 29 16 16 ASP H H 8.816 0.000 1 30 16 16 ASP N N 120.180 0.000 1 31 17 17 GLU H H 8.557 0.000 1 32 17 17 GLU N N 119.156 0.000 1 33 18 18 GLU H H 7.850 0.000 1 34 18 18 GLU N N 120.610 0.000 1 35 19 19 ILE H H 8.411 0.000 1 36 19 19 ILE N N 121.915 0.000 1 37 20 20 LYS H H 7.918 0.000 1 38 20 20 LYS N N 119.285 0.000 1 39 21 21 ARG H H 8.155 0.000 1 40 21 21 ARG N N 118.337 0.000 1 41 22 22 ALA H H 8.355 0.000 1 42 22 22 ALA N N 122.659 0.000 1 43 23 23 TYR H H 8.431 0.000 1 44 23 23 TYR N N 117.742 0.000 1 45 24 24 ARG H H 7.819 0.000 1 46 24 24 ARG N N 117.036 0.000 1 47 25 25 ARG H H 7.686 0.000 1 48 25 25 ARG N N 117.028 0.000 1 49 26 26 GLN H H 8.423 0.000 1 50 26 26 GLN N N 118.372 0.000 1 51 27 27 ALA H H 8.962 0.000 1 52 27 27 ALA N N 121.952 0.000 1 53 28 28 LEU H H 7.177 0.000 1 54 28 28 LEU N N 115.252 0.000 1 55 29 29 ARG H H 7.162 0.000 1 56 29 29 ARG N N 116.659 0.000 1 57 30 30 TYR H H 7.545 0.000 1 58 30 30 TYR N N 113.874 0.000 1 59 31 31 HIS H H 7.418 0.000 1 60 31 31 HIS N N 122.269 0.000 1 61 33 33 ASP H H 10.451 0.000 1 62 33 33 ASP N N 120.313 0.000 1 63 34 34 LYS H H 7.948 0.000 1 64 34 34 LYS N N 116.904 0.000 1 65 35 35 ASN H H 8.185 0.000 1 66 35 35 ASN N N 119.625 0.000 1 67 36 36 LYS H H 8.569 0.000 1 68 36 36 LYS N N 122.360 0.000 1 69 37 37 GLU H H 8.439 0.000 1 70 37 37 GLU N N 122.856 0.000 1 71 39 39 GLY H H 8.932 0.000 1 72 39 39 GLY N N 112.317 0.000 1 73 40 40 ALA H H 7.893 0.000 1 74 40 40 ALA N N 124.664 0.000 1 75 41 41 GLU H H 8.631 0.000 1 76 41 41 GLU N N 117.408 0.000 1 77 42 42 GLU H H 8.203 0.000 1 78 42 42 GLU N N 120.119 0.000 1 79 43 43 LYS H H 7.638 0.000 1 80 43 43 LYS N N 120.246 0.000 1 81 44 44 PHE H H 8.819 0.000 1 82 44 44 PHE N N 119.925 0.000 1 83 45 45 LYS H H 7.890 0.000 1 84 45 45 LYS N N 118.918 0.000 1 85 46 46 GLU H H 7.704 0.003 1 86 46 46 GLU N N 119.796 0.000 1 87 47 47 ILE H H 8.016 0.000 1 88 47 47 ILE N N 121.771 0.000 1 89 48 48 ALA H H 7.883 0.000 1 90 48 48 ALA N N 122.315 0.000 1 91 49 49 GLU H H 7.855 0.000 1 92 49 49 GLU N N 119.471 0.000 1 93 50 50 ALA H H 7.743 0.000 1 94 50 50 ALA N N 119.425 0.000 1 95 51 51 TYR H H 8.037 0.000 1 96 51 51 TYR N N 116.011 0.000 1 97 52 52 ASP H H 8.017 0.000 1 98 52 52 ASP N N 122.016 0.000 1 99 53 53 VAL H H 7.025 0.000 1 100 53 53 VAL N N 115.379 0.000 1 101 54 54 LEU H H 7.497 0.000 1 102 54 54 LEU N N 110.835 0.000 1 103 55 55 SER H H 7.752 0.000 1 104 55 55 SER N N 109.972 0.000 1 105 56 56 ASP H H 6.939 0.000 1 106 56 56 ASP N N 124.964 0.000 1 107 58 58 ARG H H 7.857 0.000 1 108 58 58 ARG N N 116.461 0.000 1 109 59 59 LYS H H 7.697 0.000 1 110 59 59 LYS N N 119.697 0.000 1 111 60 60 ARG H H 9.149 0.000 1 112 60 60 ARG N N 122.639 0.000 1 113 61 61 GLU H H 7.572 0.000 1 114 61 61 GLU N N 117.568 0.000 1 115 62 62 ILE H H 7.202 0.000 1 116 62 62 ILE N N 118.172 0.000 1 117 63 63 PHE H H 8.110 0.000 1 118 63 63 PHE N N 121.366 0.000 1 119 64 64 ASP H H 9.143 0.000 1 120 64 64 ASP N N 120.428 0.000 1 121 65 65 ARG H H 7.552 0.000 1 122 65 65 ARG N N 117.804 0.000 1 123 66 66 TYR H H 7.947 0.000 1 124 66 66 TYR N N 117.930 0.000 1 125 67 67 GLY H H 8.182 0.000 1 126 67 67 GLY N N 110.149 0.000 1 127 68 68 GLU H H 8.079 0.000 1 128 68 68 GLU N N 120.156 0.000 1 129 69 69 GLU H H 8.426 0.000 1 130 69 69 GLU N N 121.920 0.000 1 131 70 70 GLY H H 7.932 0.000 1 132 70 70 GLY N N 115.765 0.000 1 stop_ save_