data_27844 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 15N Chemical Shift Assignments for Proteasome Assembling Chaperone 3 ; _BMRB_accession_number 27844 _BMRB_flat_file_name bmr27844.str _Entry_type original _Submission_date 2019-03-20 _Accession_date 2019-03-20 _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 Yagi-Utsumi Maho . . 2 Kato Koichi . . 3 Okamoto Kenta . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 106 "15N chemical shifts" 106 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-05-22 original BMRB . stop_ _Original_release_date 2019-03-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular and Structural Basis of the Proteasome alpha Subunit Assembly Mechanism Mediated by the Proteasome-Assembling Chaperone PAC3-PAC4 Heterodimer ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31067643 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Satoh Tadashi . . 2 Yagi-Utsumi Maho . . 3 Okamoto Kenta . . 4 Kurimoto Eiji . . 5 Tanaka Keiji . . 6 Kato Koichi . . stop_ _Journal_abbreviation 'Int. J. Mol. Sci.' _Journal_name_full 'International journal of molecular sciences' _Journal_volume 20 _Journal_issue 9 _Journal_ISSN 1422-0067 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E2231 _Page_last E2231 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PAC3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PAC3 $proteasome_assembly_chaperone 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_proteasome_assembly_chaperone _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common proteasome_assembly_chaperone _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 122 _Mol_residue_sequence ; MEDTPLVISKQKTEVVCGVP TQVVCTAFSSHILVVVTQFG KMGTLVSLEPSSVASDVSKP VLTTKVLLGQDEPLIHVFAK NLVAFVSQEAGNRAVVLAVA VKDKSMEGLKALREVIRVCQ VW ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLU 3 3 ASP 4 4 THR 5 5 PRO 6 6 LEU 7 7 VAL 8 8 ILE 9 9 SER 10 10 LYS 11 11 GLN 12 12 LYS 13 13 THR 14 14 GLU 15 15 VAL 16 16 VAL 17 17 CYS 18 18 GLY 19 19 VAL 20 20 PRO 21 21 THR 22 22 GLN 23 23 VAL 24 24 VAL 25 25 CYS 26 26 THR 27 27 ALA 28 28 PHE 29 29 SER 30 30 SER 31 31 HIS 32 32 ILE 33 33 LEU 34 34 VAL 35 35 VAL 36 36 VAL 37 37 THR 38 38 GLN 39 39 PHE 40 40 GLY 41 41 LYS 42 42 MET 43 43 GLY 44 44 THR 45 45 LEU 46 46 VAL 47 47 SER 48 48 LEU 49 49 GLU 50 50 PRO 51 51 SER 52 52 SER 53 53 VAL 54 54 ALA 55 55 SER 56 56 ASP 57 57 VAL 58 58 SER 59 59 LYS 60 60 PRO 61 61 VAL 62 62 LEU 63 63 THR 64 64 THR 65 65 LYS 66 66 VAL 67 67 LEU 68 68 LEU 69 69 GLY 70 70 GLN 71 71 ASP 72 72 GLU 73 73 PRO 74 74 LEU 75 75 ILE 76 76 HIS 77 77 VAL 78 78 PHE 79 79 ALA 80 80 LYS 81 81 ASN 82 82 LEU 83 83 VAL 84 84 ALA 85 85 PHE 86 86 VAL 87 87 SER 88 88 GLN 89 89 GLU 90 90 ALA 91 91 GLY 92 92 ASN 93 93 ARG 94 94 ALA 95 95 VAL 96 96 VAL 97 97 LEU 98 98 ALA 99 99 VAL 100 100 ALA 101 101 VAL 102 102 LYS 103 103 ASP 104 104 LYS 105 105 SER 106 106 MET 107 107 GLU 108 108 GLY 109 109 LEU 110 110 LYS 111 111 ALA 112 112 LEU 113 113 ARG 114 114 GLU 115 115 VAL 116 116 ILE 117 117 ARG 118 118 VAL 119 119 CYS 120 120 GLN 121 121 VAL 122 122 TRP 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 $proteasome_assembly_chaperone Human 9606 Eukaryota Metazoa Homo sapiens 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 $proteasome_assembly_chaperone 'recombinant technology' . Escherichia coli . pET28b 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 $proteasome_assembly_chaperone 0.2 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' EDTA 1 mM 'natural abundance' D2O 10 % 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 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' 100 . mM pH 6.8 . pH pressure 1 . atm temperature 303 . 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 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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-15N HSQC' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' 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 PAC3 _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 3 3 ASP H H 8.422 . . 2 3 3 ASP N N 117.659 . . 3 4 4 THR H H 7.904 . . 4 4 4 THR N N 112.896 . . 5 7 7 VAL H H 8.027 . . 6 7 7 VAL N N 115.713 . . 7 8 8 ILE H H 9.101 . . 8 8 8 ILE N N 121.448 . . 9 10 10 LYS H H 8.666 . . 10 10 10 LYS N N 119.815 . . 11 11 11 GLN H H 8.31 . . 12 11 11 GLN N N 112.236 . . 13 12 12 LYS H H 8.907 . . 14 12 12 LYS N N 117.86 . . 15 13 13 THR H H 9.268 . . 16 13 13 THR N N 116.163 . . 17 14 14 GLU H H 7.537 . . 18 14 14 GLU N N 120.109 . . 19 15 15 VAL H H 9.185 . . 20 15 15 VAL N N 122.254 . . 21 16 16 VAL H H 8.103 . . 22 16 16 VAL N N 124.886 . . 23 17 17 CYS H H 9.902 . . 24 17 17 CYS N N 123.735 . . 25 18 18 GLY H H 8.207 . . 26 18 18 GLY N N 97.183 . . 27 19 19 VAL H H 7.719 . . 28 19 19 VAL N N 117.66 . . 29 21 21 THR H H 8.597 . . 30 21 21 THR N N 114.375 . . 31 22 22 GLN H H 9.046 . . 32 22 22 GLN N N 121.533 . . 33 24 24 VAL H H 7.976 . . 34 24 24 VAL N N 111.833 . . 35 25 25 CYS H H 9.116 . . 36 25 25 CYS N N 119.819 . . 37 26 26 THR H H 9.318 . . 38 26 26 THR N N 114.537 . . 39 27 27 ALA H H 8.607 . . 40 27 27 ALA N N 124.871 . . 41 28 28 PHE H H 7.947 . . 42 28 28 PHE N N 115.925 . . 43 29 29 SER H H 8.023 . . 44 29 29 SER N N 111.592 . . 45 30 30 SER H H 8.889 . . 46 30 30 SER N N 116.16 . . 47 31 31 HIS H H 8.057 . . 48 31 31 HIS N N 113.619 . . 49 32 32 ILE H H 5.542 . . 50 32 32 ILE N N 114.011 . . 51 33 33 LEU H H 9.321 . . 52 33 33 LEU N N 125.819 . . 53 34 34 VAL H H 9.5 . . 54 34 34 VAL N N 125.003 . . 55 35 35 VAL H H 9.357 . . 56 35 35 VAL N N 123.55 . . 57 36 36 VAL H H 9.031 . . 58 36 36 VAL N N 121.306 . . 59 37 37 THR H H 9.112 . . 60 37 37 THR N N 119.289 . . 61 38 38 GLN H H 8.888 . . 62 38 38 GLN N N 122.218 . . 63 39 39 PHE H H 8.533 . . 64 39 39 PHE N N 117.978 . . 65 40 40 GLY H H 8.226 . . 66 40 40 GLY N N 105.022 . . 67 41 41 LYS H H 7.218 . . 68 41 41 LYS N N 113.739 . . 69 42 42 MET H H 7.862 . . 70 42 42 MET N N 117.58 . . 71 43 43 GLY H H 8.315 . . 72 43 43 GLY N N 105.34 . . 73 44 44 THR H H 8.038 . . 74 44 44 THR N N 114.397 . . 75 45 45 LEU H H 8.447 . . 76 45 45 LEU N N 122.741 . . 77 46 46 VAL H H 9.931 . . 78 46 46 VAL N N 123.416 . . 79 47 47 SER H H 9.065 . . 80 47 47 SER N N 119.866 . . 81 48 48 LEU H H 9.208 . . 82 48 48 LEU N N 122.919 . . 83 49 49 GLU H H 8.054 . . 84 49 49 GLU N N 116.527 . . 85 51 51 SER H H 8.587 . . 86 51 51 SER N N 113.366 . . 87 52 52 SER H H 8.259 . . 88 52 52 SER N N 112.789 . . 89 53 53 VAL H H 8.053 . . 90 53 53 VAL N N 115.589 . . 91 54 54 ALA H H 8.227 . . 92 54 54 ALA N N 122.401 . . 93 55 55 SER H H 8.112 . . 94 55 55 SER N N 109.614 . . 95 56 56 ASP H H 8.239 . . 96 56 56 ASP N N 115.981 . . 97 57 57 VAL H H 7.777 . . 98 57 57 VAL N N 113.049 . . 99 58 58 SER H H 8.094 . . 100 58 58 SER N N 112.706 . . 101 59 59 LYS H H 8.076 . . 102 59 59 LYS N N 118.118 . . 103 61 61 VAL H H 7.017 . . 104 61 61 VAL N N 113.313 . . 105 62 62 LEU H H 8.389 . . 106 62 62 LEU N N 115.835 . . 107 63 63 THR H H 8.255 . . 108 63 63 THR N N 117.475 . . 109 64 64 THR H H 8.198 . . 110 64 64 THR N N 110.549 . . 111 65 65 LYS H H 8.33 . . 112 65 65 LYS N N 116.331 . . 113 66 66 VAL H H 9.208 . . 114 66 66 VAL N N 122.919 . . 115 67 67 LEU H H 8.449 . . 116 67 67 LEU N N 114.376 . . 117 68 68 LEU H H 7.234 . . 118 68 68 LEU N N 113.089 . . 119 69 69 GLY H H 8.474 . . 120 69 69 GLY N N 107.289 . . 121 70 70 GLN H H 8.016 . . 122 70 70 GLN N N 112.236 . . 123 71 71 ASP H H 8.699 . . 124 71 71 ASP N N 121.44 . . 125 72 72 GLU H H 7.166 . . 126 72 72 GLU N N 118.786 . . 127 75 75 ILE H H 7.734 . . 128 75 75 ILE N N 118.607 . . 129 76 76 HIS H H 7.534 . . 130 76 76 HIS N N 121.431 . . 131 77 77 VAL H H 8.858 . . 132 77 77 VAL N N 122.655 . . 133 79 79 ALA H H 8.558 . . 134 79 79 ALA N N 113.254 . . 135 80 80 LYS H H 7.556 . . 136 80 80 LYS N N 110.569 . . 137 81 81 ASN H H 8.027 . . 138 81 81 ASN N N 111.062 . . 139 82 82 LEU H H 8.399 . . 140 82 82 LEU N N 118.399 . . 141 83 83 VAL H H 7.344 . . 142 83 83 VAL N N 93.758 . . 143 84 84 ALA H H 8.3 . . 144 84 84 ALA N N 122.933 . . 145 85 85 PHE H H 8.477 . . 146 85 85 PHE N N 108.752 . . 147 86 86 VAL H H 6.001 . . 148 86 86 VAL N N 117.049 . . 149 87 87 SER H H 6.298 . . 150 87 87 SER N N 102.923 . . 151 88 88 GLN H H 7.637 . . 152 88 88 GLN N N 110.683 . . 153 89 89 GLU H H 8.968 . . 154 89 89 GLU N N 111.94 . . 155 90 90 ALA H H 7.588 . . 156 90 90 ALA N N 116.501 . . 157 91 91 GLY H H 7.699 . . 158 91 91 GLY N N 103.632 . . 159 92 92 ASN H H 8.073 . . 160 92 92 ASN N N 110.045 . . 161 93 93 ARG H H 6.694 . . 162 93 93 ARG N N 112.205 . . 163 94 94 ALA H H 7.376 . . 164 94 94 ALA N N 119.296 . . 165 95 95 VAL H H 8.587 . . 166 95 95 VAL N N 113.366 . . 167 96 96 VAL H H 8.901 . . 168 96 96 VAL N N 124.641 . . 169 97 97 LEU H H 9.117 . . 170 97 97 LEU N N 122.927 . . 171 98 98 ALA H H 9.17 . . 172 98 98 ALA N N 127.225 . . 173 99 99 VAL H H 9.09 . . 174 99 99 VAL N N 115.513 . . 175 100 100 ALA H H 8.696 . . 176 100 100 ALA N N 131.261 . . 177 101 101 VAL H H 7.429 . . 178 101 101 VAL N N 111.735 . . 179 102 102 LYS H H 8.159 . . 180 102 102 LYS N N 121.603 . . 181 103 103 ASP H H 8.265 . . 182 103 103 ASP N N 114.607 . . 183 104 104 LYS H H 8.178 . . 184 104 104 LYS N N 120.922 . . 185 106 106 MET H H 7.005 . . 186 106 106 MET N N 116.877 . . 187 107 107 GLU H H 8.686 . . 188 107 107 GLU N N 115.161 . . 189 108 108 GLY H H 8.028 . . 190 108 108 GLY N N 105.514 . . 191 109 109 LEU H H 8.318 . . 192 109 109 LEU N N 118.275 . . 193 110 110 LYS H H 7.956 . . 194 110 110 LYS N N 112.851 . . 195 111 111 ALA H H 7.519 . . 196 111 111 ALA N N 115.656 . . 197 113 113 ARG H H 8.382 . . 198 113 113 ARG N N 113.767 . . 199 114 114 GLU H H 7.119 . . 200 114 114 GLU N N 110.58 . . 201 115 115 VAL H H 8.196 . . 202 115 115 VAL N N 113.879 . . 203 116 116 ILE H H 7.441 . . 204 116 116 ILE N N 115.403 . . 205 117 117 ARG H H 8.242 . . 206 117 117 ARG N N 116.991 . . 207 120 120 GLN H H 8.4 . . 208 120 120 GLN N N 117.014 . . 209 121 121 VAL H H 7.084 . . 210 121 121 VAL N N 120.832 . . 211 122 122 TRP H H 6.223 . . 212 122 122 TRP N N 119.797 . . stop_ save_