data_27984 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Cezanne UBA domain (residues 2-55) ; _BMRB_accession_number 27984 _BMRB_flat_file_name bmr27984.str _Entry_type original _Submission_date 2019-07-23 _Accession_date 2019-07-23 _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 Rogov Vladimir V. . 2 Huber Jessica . . 3 Doetsch Volker . . 4 Mader Julia . . 5 Bremm Anja . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 52 "13C chemical shifts" 102 "15N chemical shifts" 52 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-31 update BMRB 'update entry citation' 2020-01-15 original author 'original release' stop_ _Original_release_date 2019-07-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Oxygen-dependent asparagine hydroxylation of the ubiquitin-associated (UBA) domain in Cezanne regulates ubiquitin binding ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31937588 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mader Julia . . 2 Huber Jessica . . 3 Bonn Florian . . 4 Doetsch Volker . . 5 Rogov Vladimir V. . 6 Bremm Anja . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 295 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2160 _Page_last 2174 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Cezanne UBA domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Cezanne UBA domain' $Cezanne_UBA_domain stop_ _System_molecular_weight 5838.46 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'Cezanne UBA domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Cezanne_UBA_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cezanne_UBA_domain _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'Hydrolase, Protease, Thiol protease' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 55 _Mol_residue_sequence ; MTLDMDAVLSDFVRSTGAEP GLARDLLEGKNWDVNAALSD FEQLRQVHAGNLPPS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 LEU 4 ASP 5 MET 6 ASP 7 ALA 8 VAL 9 LEU 10 SER 11 ASP 12 PHE 13 VAL 14 ARG 15 SER 16 THR 17 GLY 18 ALA 19 GLU 20 PRO 21 GLY 22 LEU 23 ALA 24 ARG 25 ASP 26 LEU 27 LEU 28 GLU 29 GLY 30 LYS 31 ASN 32 TRP 33 ASP 34 VAL 35 ASN 36 ALA 37 ALA 38 LEU 39 SER 40 ASP 41 PHE 42 GLU 43 GLN 44 LEU 45 ARG 46 GLN 47 VAL 48 HIS 49 ALA 50 GLY 51 ASN 52 LEU 53 PRO 54 PRO 55 SER 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 $Cezanne_UBA_domain 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 $Cezanne_UBA_domain 'recombinant technology' . Escherichia coli 'Rosetta DE3' pOPINK 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 $Cezanne_UBA_domain 0.8 mM '[U-98% 13C; U-98% 15N]' HEPES 25 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 5 % 'natural abundance' DSS 1 mM 'natural abundance' 'protease inhibitors cocktail' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' collection 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _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_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _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' 0.05 . M pH 7.5 . pH pressure 1 . atm temperature 298 . 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 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_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '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 'Cezanne UBA 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 THR H H 8.327 0.03 1 2 2 2 THR CA C 62.020 0.1 1 3 2 2 THR CB C 69.757 0.1 1 4 2 2 THR N N 115.504 0.1 1 5 3 3 LEU H H 8.166 0.03 1 6 3 3 LEU CA C 55.246 0.1 1 7 3 3 LEU CB C 42.907 0.1 1 8 3 3 LEU N N 125.419 0.1 1 9 4 4 ASP H H 8.460 0.03 1 10 4 4 ASP CA C 52.763 0.1 1 11 4 4 ASP CB C 40.419 0.1 1 12 4 4 ASP N N 124.320 0.1 1 13 5 5 MET H H 8.173 0.03 1 14 5 5 MET CA C 59.212 0.1 1 15 5 5 MET CB C 32.510 0.1 1 16 5 5 MET N N 122.867 0.1 1 17 6 6 ASP H H 8.019 0.03 1 18 6 6 ASP CA C 57.695 0.1 1 19 6 6 ASP CB C 40.403 0.1 1 20 6 6 ASP N N 118.053 0.1 1 21 7 7 ALA H H 7.738 0.03 1 22 7 7 ALA CA C 54.884 0.1 1 23 7 7 ALA CB C 18.374 0.1 1 24 7 7 ALA N N 124.459 0.1 1 25 8 8 VAL H H 8.087 0.03 1 26 8 8 VAL CA C 66.516 0.1 1 27 8 8 VAL CB C 32.090 0.1 1 28 8 8 VAL N N 119.653 0.1 1 29 9 9 LEU H H 8.611 0.03 1 30 9 9 LEU CA C 58.743 0.1 1 31 9 9 LEU CB C 42.195 0.1 1 32 9 9 LEU N N 121.277 0.1 1 33 10 10 SER H H 8.179 0.03 1 34 10 10 SER CA C 61.921 0.1 1 35 10 10 SER CB C 62.810 0.1 1 36 10 10 SER N N 113.468 0.1 1 37 11 11 ASP H H 8.320 0.03 1 38 11 11 ASP CA C 57.531 0.1 1 39 11 11 ASP CB C 40.790 0.1 1 40 11 11 ASP N N 122.277 0.1 1 41 12 12 PHE H H 8.623 0.03 1 42 12 12 PHE CA C 61.795 0.1 1 43 12 12 PHE CB C 40.393 0.1 1 44 12 12 PHE N N 123.558 0.1 1 45 13 13 VAL H H 8.951 0.03 1 46 13 13 VAL CA C 67.066 0.1 1 47 13 13 VAL CB C 32.285 0.1 1 48 13 13 VAL N N 122.993 0.1 1 49 14 14 ARG H H 8.200 0.03 1 50 14 14 ARG CA C 59.680 0.1 1 51 14 14 ARG CB C 30.041 0.1 1 52 14 14 ARG N N 121.128 0.1 1 53 15 15 SER H H 8.029 0.03 1 54 15 15 SER CA C 61.230 0.1 1 55 15 15 SER CB C 63.651 0.1 1 56 15 15 SER N N 112.107 0.1 1 57 16 16 THR H H 7.461 0.03 1 58 16 16 THR CA C 62.575 0.1 1 59 16 16 THR CB C 71.382 0.1 1 60 16 16 THR N N 107.610 0.1 1 61 17 17 GLY H H 8.428 0.03 1 62 17 17 GLY CA C 45.502 0.1 1 63 17 17 GLY N N 111.486 0.1 1 64 18 18 ALA H H 7.809 0.03 1 65 18 18 ALA CA C 51.845 0.1 1 66 18 18 ALA CB C 19.796 0.1 1 67 18 18 ALA N N 122.206 0.1 1 68 19 19 GLU H H 8.362 0.03 1 69 19 19 GLU CA C 55.232 0.1 1 70 19 19 GLU CB C 29.755 0.1 1 71 19 19 GLU N N 122.488 0.1 1 72 20 20 PRO CA C 66.245 0.1 1 73 20 20 PRO CB C 32.063 0.1 1 74 21 21 GLY H H 8.771 0.03 1 75 21 21 GLY CA C 47.272 0.1 1 76 21 21 GLY N N 107.741 0.1 1 77 22 22 LEU H H 7.351 0.03 1 78 22 22 LEU CA C 57.484 0.1 1 79 22 22 LEU CB C 41.827 0.1 1 80 22 22 LEU N N 124.614 0.1 1 81 23 23 ALA H H 8.455 0.03 1 82 23 23 ALA CA C 55.267 0.1 1 83 23 23 ALA CB C 19.807 0.1 1 84 23 23 ALA N N 119.272 0.1 1 85 24 24 ARG H H 8.083 0.03 1 86 24 24 ARG CA C 60.014 0.1 1 87 24 24 ARG CB C 29.569 0.1 1 88 24 24 ARG N N 116.714 0.1 1 89 25 25 ASP H H 7.696 0.03 1 90 25 25 ASP CA C 57.660 0.1 1 91 25 25 ASP CB C 40.276 0.1 1 92 25 25 ASP N N 119.421 0.1 1 93 26 26 LEU H H 8.387 0.03 1 94 26 26 LEU CA C 57.067 0.1 1 95 26 26 LEU CB C 41.968 0.1 1 96 26 26 LEU N N 120.880 0.1 1 97 27 27 LEU H H 7.845 0.03 1 98 27 27 LEU CA C 58.097 0.1 1 99 27 27 LEU CB C 40.011 0.1 1 100 27 27 LEU N N 119.730 0.1 1 101 28 28 GLU H H 8.623 0.03 1 102 28 28 GLU CA C 59.846 0.1 1 103 28 28 GLU CB C 29.368 0.1 1 104 28 28 GLU N N 120.602 0.1 1 105 29 29 GLY H H 7.913 0.03 1 106 29 29 GLY CA C 46.528 0.1 1 107 29 29 GLY N N 106.766 0.1 1 108 30 30 LYS H H 6.944 0.03 1 109 30 30 LYS CA C 52.646 0.1 1 110 30 30 LYS CB C 32.003 0.1 1 111 30 30 LYS N N 117.189 0.1 1 112 31 31 ASN H H 8.080 0.03 1 113 31 31 ASN CA C 55.266 0.1 1 114 31 31 ASN CB C 37.177 0.1 1 115 31 31 ASN N N 118.979 0.1 1 116 32 32 TRP H H 8.794 0.03 1 117 32 32 TRP HE1 H 10.366 0.03 1 118 32 32 TRP CA C 59.865 0.1 1 119 32 32 TRP CB C 24.084 0.1 1 120 32 32 TRP N N 109.479 0.1 1 121 32 32 TRP NE1 N 130.180 0.1 1 122 33 33 ASP H H 7.127 0.03 1 123 33 33 ASP CA C 53.247 0.1 1 124 33 33 ASP CB C 40.911 0.1 1 125 33 33 ASP N N 118.121 0.1 1 126 34 34 VAL H H 8.258 0.03 1 127 34 34 VAL CA C 66.520 0.1 1 128 34 34 VAL CB C 32.245 0.1 1 129 34 34 VAL N N 127.171 0.1 1 130 35 35 ASN H H 8.134 0.03 1 131 35 35 ASN CA C 56.666 0.1 1 132 35 35 ASN CB C 38.028 0.1 1 133 35 35 ASN N N 117.577 0.1 1 134 36 36 ALA H H 8.022 0.03 1 135 36 36 ALA CA C 54.523 0.1 1 136 36 36 ALA CB C 18.400 0.1 1 137 36 36 ALA N N 124.214 0.1 1 138 37 37 ALA H H 8.316 0.03 1 139 37 37 ALA CA C 55.369 0.1 1 140 37 37 ALA CB C 18.591 0.1 1 141 37 37 ALA N N 121.403 0.1 1 142 38 38 LEU H H 8.910 0.03 1 143 38 38 LEU CA C 58.404 0.1 1 144 38 38 LEU CB C 42.055 0.1 1 145 38 38 LEU N N 120.283 0.1 1 146 39 39 SER H H 7.750 0.03 1 147 39 39 SER CA C 61.605 0.1 1 148 39 39 SER CB C 62.460 0.1 1 149 39 39 SER N N 114.701 0.1 1 150 40 40 ASP H H 7.952 0.03 1 151 40 40 ASP CA C 57.376 0.1 1 152 40 40 ASP CB C 40.415 0.1 1 153 40 40 ASP N N 122.186 0.1 1 154 41 41 PHE H H 8.667 0.03 1 155 41 41 PHE CA C 62.011 0.1 1 156 41 41 PHE CB C 39.270 0.1 1 157 41 41 PHE N N 121.848 0.1 1 158 42 42 GLU H H 8.385 0.03 1 159 42 42 GLU CA C 58.978 0.1 1 160 42 42 GLU CB C 29.259 0.1 1 161 42 42 GLU N N 118.629 0.1 1 162 43 43 GLN H H 7.773 0.03 1 163 43 43 GLN CA C 58.193 0.1 1 164 43 43 GLN CB C 28.654 0.1 1 165 43 43 GLN N N 117.330 0.1 1 166 44 44 LEU H H 7.735 0.03 1 167 44 44 LEU CA C 56.949 0.1 1 168 44 44 LEU CB C 41.996 0.1 1 169 44 44 LEU N N 120.206 0.1 1 170 45 45 ARG H H 7.744 0.03 1 171 45 45 ARG CA C 57.483 0.1 1 172 45 45 ARG CB C 29.984 0.1 1 173 45 45 ARG N N 118.448 0.1 1 174 46 46 GLN H H 7.798 0.03 1 175 46 46 GLN CA C 56.981 0.1 1 176 46 46 GLN CB C 28.895 0.1 1 177 46 46 GLN N N 118.592 0.1 1 178 47 47 VAL H H 7.853 0.03 1 179 47 47 VAL CA C 63.651 0.1 1 180 47 47 VAL CB C 32.322 0.1 1 181 47 47 VAL N N 119.923 0.1 1 182 48 48 HIS H H 8.151 0.03 1 183 48 48 HIS CA C 56.569 0.1 1 184 48 48 HIS CB C 30.665 0.1 1 185 48 48 HIS N N 121.579 0.1 1 186 49 49 ALA H H 8.140 0.03 1 187 49 49 ALA CA C 53.040 0.1 1 188 49 49 ALA CB C 19.043 0.1 1 189 49 49 ALA N N 124.293 0.1 1 190 50 50 GLY H H 8.283 0.03 1 191 50 50 GLY CA C 45.352 0.1 1 192 50 50 GLY N N 107.212 0.1 1 193 51 51 ASN H H 8.173 0.03 1 194 51 51 ASN CA C 53.031 0.1 1 195 51 51 ASN CB C 39.096 0.1 1 196 51 51 ASN N N 118.319 0.1 1 197 52 52 LEU H H 8.117 0.03 1 198 52 52 LEU CA C 53.155 0.1 1 199 52 52 LEU CB C 41.723 0.1 1 200 52 52 LEU N N 123.435 0.1 1 201 54 54 PRO CA C 63.309 0.1 1 202 54 54 PRO CB C 31.983 0.1 1 203 55 55 SER H H 7.961 0.03 1 204 55 55 SER CA C 59.939 0.1 1 205 55 55 SER CB C 64.969 0.1 1 206 55 55 SER N N 121.675 0.1 1 stop_ save_