data_30032 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Miz-1 Zinc Finger 13 ; _BMRB_accession_number 30032 _BMRB_flat_file_name bmr30032.str _Entry_type original _Submission_date 2016-03-08 _Accession_date 2016-03-08 _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 Tremblay C. . . 2 Bedard M. . . 3 Lavigne P. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 148 "13C chemical shifts" 65 "15N chemical shifts" 22 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-03-28 original BMRB . stop_ _Original_release_date 2016-03-28 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the 13th C2H2 Zinc Finger of Miz-1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26972249 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tremblay C. . . 2 Bedard M. . . 3 Bonin MA. . . 4 Lavigne P. . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 473 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 471 _Page_last 475 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Zinc finger and BTB domain-containing protein 17' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_ZN stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 3232.629 _Mol_thiol_state 'all other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 29 _Mol_residue_sequence ; HILYACDSCGDKFLDANSLA QHVRIHTAQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 HIS 2 2 ILE 3 3 LEU 4 4 TYR 5 5 ALA 6 6 CYS 7 7 ASP 8 8 SER 9 9 CYS 10 10 GLY 11 11 ASP 12 12 LYS 13 13 PHE 14 14 LEU 15 15 ASP 16 16 ALA 17 17 ASN 18 18 SER 19 19 LEU 20 20 ALA 21 21 GLN 22 22 HIS 23 23 VAL 24 24 ARG 25 25 ILE 26 26 HIS 27 27 THR 28 28 ALA 29 29 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_ZN _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_ZN (ZINC ION)" _BMRB_code ZN _PDB_code ZN _Molecular_mass 65.409 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_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_1 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 $entity_1 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.75 mM 1H ZF 13, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.75 mM 'natural abundance' ZnCl2 2 mM 'natural abundance' KCl 50 mM 'natural abundance' 'Bis Tris' 10 mM [U-2H] TECP 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ARIA _Version 2.2 loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CcpNMR_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name DANGLE _Version 1.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name NMRPipe _Version 7.4 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity 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_1 save_ save_2D_1H-13C_HSQC_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _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 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 external indirect . . . 0.25144953 water H 1 protons ppm 4.66 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-1H TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 ILE H H 7.806 0.003 1 2 2 2 ILE HA H 3.871 0.002 1 3 2 2 ILE HB H 1.505 0.009 1 4 2 2 ILE HG12 H 0.869 0.006 2 5 2 2 ILE HG13 H 1.231 0.006 2 6 2 2 ILE HG2 H 0.390 0.008 1 7 2 2 ILE HD1 H 0.638 0.007 1 8 2 2 ILE CB C 38.604 . 1 9 2 2 ILE CG1 C 26.965 0.353 1 10 2 2 ILE CG2 C 17.093 . 1 11 2 2 ILE CD1 C 12.658 . 1 12 3 3 LEU H H 9.013 0.004 1 13 3 3 LEU HA H 4.425 0.006 1 14 3 3 LEU HB2 H 1.665 0.003 1 15 3 3 LEU HB3 H 1.665 0.003 1 16 3 3 LEU HG H 1.608 0.01 1 17 3 3 LEU HD1 H 0.736 0.008 2 18 3 3 LEU HD2 H 0.792 0.009 2 19 3 3 LEU CB C 42.471 . 1 20 3 3 LEU CG C 27.386 . 1 21 3 3 LEU CD1 C 23.144 . 2 22 3 3 LEU CD2 C 25.069 . 2 23 3 3 LEU N N 119.128 . 1 24 4 4 TYR H H 8.584 0.009 1 25 4 4 TYR HA H 4.334 0.011 1 26 4 4 TYR HB2 H 2.703 0.008 2 27 4 4 TYR HB3 H 2.598 0.007 2 28 4 4 TYR HD1 H 6.799 0.008 1 29 4 4 TYR HD2 H 6.799 0.008 1 30 4 4 TYR HE1 H 6.618 0.008 1 31 4 4 TYR HE2 H 6.618 0.008 1 32 4 4 TYR CB C 38.793 . 1 33 4 4 TYR CD1 C 132.704 . 1 34 4 4 TYR CD2 C 132.704 . 1 35 4 4 TYR CE1 C 117.871 . 1 36 4 4 TYR CE2 C 117.871 . 1 37 5 5 ALA H H 8.477 0.003 1 38 5 5 ALA HA H 4.989 0.004 1 39 5 5 ALA HB H 1.070 0.009 1 40 5 5 ALA N N 125.605 . 1 41 6 6 CYS H H 8.818 0.002 1 42 6 6 CYS HA H 4.338 0.011 1 43 6 6 CYS HB2 H 3.198 0.007 2 44 6 6 CYS HB3 H 2.642 0.011 2 45 6 6 CYS CB C 29.561 0.069 1 46 6 6 CYS N N 123.747 . 1 47 7 7 ASP H H 9.029 0.001 1 48 7 7 ASP HA H 4.356 0.011 1 49 7 7 ASP HB2 H 2.608 0.006 1 50 7 7 ASP HB3 H 2.608 0.006 1 51 7 7 ASP CB C 40.949 . 1 52 7 7 ASP N N 130.789 . 1 53 8 8 SER HA H 3.617 0.003 1 54 8 8 SER HB2 H 3.491 0.007 2 55 8 8 SER HB3 H 3.400 0.008 2 56 9 9 CYS H H 8.030 0.006 1 57 9 9 CYS HA H 4.936 0.004 1 58 9 9 CYS HB2 H 3.232 0.012 2 59 9 9 CYS HB3 H 2.701 0.008 2 60 9 9 CYS CB C 32.276 0.017 1 61 10 10 GLY H H 7.928 0.004 1 62 10 10 GLY HA2 H 4.061 0.011 2 63 10 10 GLY HA3 H 3.782 0.011 2 64 10 10 GLY CA C 46.046 0.131 1 65 10 10 GLY N N 111.529 . 1 66 11 11 ASP H H 8.197 0.005 1 67 11 11 ASP HA H 4.189 0.008 1 68 11 11 ASP HB2 H 2.062 0.008 2 69 11 11 ASP HB3 H 1.901 0.01 2 70 11 11 ASP CA C 55.887 . 1 71 11 11 ASP CB C 40.842 0.052 1 72 11 11 ASP N N 124.473 . 1 73 12 12 LYS H H 7.593 0.003 1 74 12 12 LYS HA H 4.746 0.005 1 75 12 12 LYS HB2 H 1.431 0.012 2 76 12 12 LYS HB3 H 1.369 . 2 77 12 12 LYS HG2 H 1.119 0.008 1 78 12 12 LYS HG3 H 1.119 0.008 1 79 12 12 LYS HD2 H 1.342 0.01 2 80 12 12 LYS HD3 H 1.378 0.051 2 81 12 12 LYS HE2 H 2.776 0.006 1 82 12 12 LYS HE3 H 2.776 0.006 1 83 12 12 LYS CB C 35.706 0.004 1 84 12 12 LYS CG C 24.976 . 1 85 12 12 LYS CD C 29.054 0.001 1 86 12 12 LYS CE C 42.125 . 1 87 12 12 LYS N N 117.086 . 1 88 13 13 PHE H H 8.540 0.005 1 89 13 13 PHE HA H 4.496 0.007 1 90 13 13 PHE HB2 H 3.249 0.007 2 91 13 13 PHE HB3 H 2.534 0.004 2 92 13 13 PHE HD1 H 7.007 0.005 1 93 13 13 PHE HD2 H 7.007 0.005 1 94 13 13 PHE HE1 H 6.639 0.006 1 95 13 13 PHE HE2 H 6.639 0.006 1 96 13 13 PHE HZ H 6.228 0.009 1 97 13 13 PHE CB C 43.526 . 1 98 13 13 PHE CD1 C 131.945 . 1 99 13 13 PHE CD2 C 131.945 . 1 100 13 13 PHE CE1 C 130.681 . 1 101 13 13 PHE CE2 C 130.681 . 1 102 13 13 PHE CZ C 129.305 . 1 103 13 13 PHE N N 118.038 . 1 104 14 14 LEU H H 8.013 0.009 1 105 14 14 LEU HA H 4.125 0.009 1 106 14 14 LEU HB2 H 2.012 0.003 2 107 14 14 LEU HB3 H 1.861 0.007 2 108 14 14 LEU HG H 2.258 0.005 1 109 14 14 LEU CA C 55.718 . 1 110 14 14 LEU CB C 29.206 0.194 1 111 14 14 LEU CG C 18.506 . 1 112 15 15 ASP H H 8.895 0.003 1 113 15 15 ASP HA H 4.264 0.004 1 114 15 15 ASP HB2 H 3.003 0.009 2 115 15 15 ASP HB3 H 2.887 0.007 2 116 15 15 ASP CA C 56.098 . 1 117 15 15 ASP N N 116.928 . 1 118 16 16 ALA H H 8.029 0.004 1 119 16 16 ALA HA H 3.152 0.006 1 120 16 16 ALA HB H 0.994 0.005 1 121 16 16 ALA CA C 54.332 . 1 122 16 16 ALA CB C 18.288 . 1 123 17 17 ASN H H 8.354 0.001 1 124 17 17 ASN HA H 4.240 0.009 1 125 17 17 ASN HB2 H 2.575 0.012 2 126 17 17 ASN HB3 H 2.634 0.008 2 127 17 17 ASN CB C 38.024 0.019 1 128 17 17 ASN N N 119.199 . 1 129 18 18 SER H H 8.603 0.005 1 130 18 18 SER HA H 3.917 0.005 1 131 18 18 SER HB2 H 3.790 0.006 1 132 18 18 SER HB3 H 3.790 0.006 1 133 18 18 SER CA C 61.878 . 1 134 18 18 SER N N 118.422 . 1 135 19 19 LEU H H 6.794 0.004 1 136 19 19 LEU HA H 3.069 0.007 1 137 19 19 LEU HB2 H 1.448 0.009 2 138 19 19 LEU HB3 H 1.626 0.005 2 139 19 19 LEU HG H 1.105 0.003 1 140 19 19 LEU HD1 H 0.734 0.003 2 141 19 19 LEU HD2 H 0.859 0.004 2 142 19 19 LEU CA C 57.822 . 1 143 19 19 LEU N N 122.785 . 1 144 20 20 ALA H H 7.735 0.006 1 145 20 20 ALA HA H 3.911 0.005 1 146 20 20 ALA HB H 1.297 0.006 1 147 20 20 ALA CA C 54.952 . 1 148 20 20 ALA CB C 17.838 . 1 149 20 20 ALA N N 120.848 . 1 150 21 21 GLN H H 7.634 0.004 1 151 21 21 GLN HA H 3.796 0.006 1 152 21 21 GLN HB2 H 2.252 0.006 1 153 21 21 GLN HB3 H 2.252 0.006 1 154 21 21 GLN HG2 H 1.895 0.006 2 155 21 21 GLN HG3 H 1.857 0.003 2 156 21 21 GLN HE21 H 7.611 0.003 1 157 21 21 GLN HE22 H 6.788 0.003 1 158 21 21 GLN CA C 58.007 . 1 159 21 21 GLN CB C 31.363 . 1 160 21 21 GLN N N 115.159 . 1 161 21 21 GLN NE2 N 113.881 0.022 1 162 22 22 HIS H H 7.293 0.004 1 163 22 22 HIS HA H 4.035 0.009 1 164 22 22 HIS HB2 H 2.918 0.01 2 165 22 22 HIS HB3 H 2.600 0.009 2 166 22 22 HIS HD2 H 6.798 0.006 1 167 22 22 HIS HE1 H 7.901 0.006 1 168 22 22 HIS CA C 59.487 . 1 169 22 22 HIS CB C 28.542 0.005 1 170 22 22 HIS CD2 C 126.951 . 1 171 22 22 HIS N N 119.329 . 1 172 23 23 VAL H H 8.246 0.004 1 173 23 23 VAL HA H 3.467 0.007 1 174 23 23 VAL HB H 2.225 0.006 1 175 23 23 VAL HG1 H 1.168 0.005 2 176 23 23 VAL HG2 H 1.061 0.008 2 177 23 23 VAL CA C 65.937 . 1 178 23 23 VAL CG1 C 21.886 . 1 179 23 23 VAL N N 113.369 . 1 180 24 24 ARG H H 6.829 0.006 1 181 24 24 ARG HA H 3.931 0.007 1 182 24 24 ARG HB2 H 1.710 0.017 2 183 24 24 ARG HB3 H 1.638 0.011 2 184 24 24 ARG HG2 H 1.498 0.006 1 185 24 24 ARG HG3 H 1.498 0.006 1 186 24 24 ARG HD2 H 3.057 0.006 1 187 24 24 ARG HD3 H 3.057 0.006 1 188 24 24 ARG CA C 58.532 . 1 189 24 24 ARG CB C 30.043 0.045 1 190 24 24 ARG CG C 27.312 . 1 191 24 24 ARG CD C 43.396 . 1 192 24 24 ARG N N 118.587 . 1 193 25 25 ILE H H 7.688 0.005 1 194 25 25 ILE HA H 3.799 0.011 1 195 25 25 ILE HB H 1.562 0.006 1 196 25 25 ILE HG12 H 0.768 0.004 2 197 25 25 ILE HG13 H 0.621 0.008 2 198 25 25 ILE HG2 H 0.445 0.008 1 199 25 25 ILE HD1 H 0.534 0.008 1 200 25 25 ILE CA C 62.615 . 1 201 25 25 ILE CB C 37.691 . 1 202 25 25 ILE CG1 C 24.701 . 1 203 25 25 ILE CG2 C 16.422 . 1 204 25 25 ILE CD1 C 14.075 . 1 205 25 25 ILE N N 116.323 . 1 206 26 26 HIS H H 7.164 0.003 1 207 26 26 HIS HB2 H 3.145 0.012 2 208 26 26 HIS HB3 H 3.123 0.007 2 209 26 26 HIS HD2 H 6.638 0.007 1 210 26 26 HIS HE1 H 7.872 0.008 1 211 26 26 HIS CB C 28.338 . 1 212 26 26 HIS CD2 C 127.417 . 1 213 26 26 HIS N N 117.565 . 1 214 27 27 THR H H 7.625 0.002 1 215 27 27 THR HA H 4.152 0.007 1 216 27 27 THR HB H 4.127 0.006 1 217 27 27 THR HG2 H 1.083 0.005 1 218 27 27 THR CA C 62.452 . 1 219 27 27 THR CB C 69.619 . 1 220 27 27 THR CG2 C 21.492 . 1 221 27 27 THR N N 113.024 . 1 222 28 28 ALA H H 8.014 0.003 1 223 28 28 ALA HA H 4.158 0.009 1 224 28 28 ALA HB H 1.272 0.007 1 225 28 28 ALA CA C 52.854 . 1 226 28 28 ALA CB C 18.695 . 1 227 29 29 GLN H H 7.311 0.007 1 228 29 29 GLN HA H 4.352 0.012 1 229 29 29 GLN HB2 H 2.566 0.003 1 230 29 29 GLN HB3 H 2.565 0.003 1 231 29 29 GLN HG2 H 2.643 0.012 1 232 29 29 GLN HG3 H 2.643 0.012 1 233 29 29 GLN CB C 43.649 . 1 234 29 29 GLN CG C 43.555 . 1 235 29 29 GLN N N 113.145 . 1 stop_ save_