data_27333 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Ataxin7N10Q (Residues:1-62) ; _BMRB_accession_number 27333 _BMRB_flat_file_name bmr27333.str _Entry_type original _Submission_date 2017-12-07 _Accession_date 2017-12-07 _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 Hu Hongyu . Sr. 2 Hong Junye . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 69 "13C chemical shifts" 82 "15N chemical shifts" 39 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-02-07 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27334 'Ataxin7N10QT3N9 (Residues:1-62)' 27335 'Ataxin7N22QT3N9 (Residues:1-62)' stop_ _Original_release_date 2017-12-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural and dynamic studies reveal that the alanine-rich region in the N-terminus of ataxin-7 initiates -helix formation of the polyglutamine tract but inhibits its amyloid aggregation ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hong Hongyu . . 2 Hong Junye . . 3 Wang Dongdong . . 4 Xue Wei . . 5 Yue Hongwei . . 6 Yang Hui . . 7 Jiang Leilei . . 8 Wang Wenning . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _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 . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ataxin7N10Q _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ataxin7N10Q $Atx7N10Q 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_Atx7N10Q _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Atx7N10Q _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 62 _Mol_residue_sequence ; MSERAADDVRGEPRRAAAAA GGAAAAAARQQQQQQQQQQP PPPQPQRQQHPPPPPRRTRP ED ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 GLU 4 ARG 5 ALA 6 ALA 7 ASP 8 ASP 9 VAL 10 ARG 11 GLY 12 GLU 13 PRO 14 ARG 15 ARG 16 ALA 17 ALA 18 ALA 19 ALA 20 ALA 21 GLY 22 GLY 23 ALA 24 ALA 25 ALA 26 ALA 27 ALA 28 ALA 29 ARG 30 GLN 31 GLN 32 GLN 33 GLN 34 GLN 35 GLN 36 GLN 37 GLN 38 GLN 39 GLN 40 PRO 41 PRO 42 PRO 43 PRO 44 GLN 45 PRO 46 GLN 47 ARG 48 GLN 49 GLN 50 HIS 51 PRO 52 PRO 53 PRO 54 PRO 55 PRO 56 ARG 57 ARG 58 THR 59 ARG 60 PRO 61 GLU 62 ASP 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 $Atx7N10Q 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 $Atx7N10Q 'recombinant technology' . . . . pET-32M 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Atx7N10Q 300 uM 100 500 '[U-13C; U-15N]' $Atx7N10Q 300 uM 100 500 [U-15N] stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'Uniform NMR System' _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_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_NMRbuffer _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 6.5 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 HNCACB' '3D CBCA(CO)NH' '3D HNHA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $NMRbuffer _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Ataxin7N10Q _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 1 1 MET H H 8.602 . . 2 1 1 MET HA H 4.378 . . 3 1 1 MET CA C 55.763 . . 4 1 1 MET CB C 32.380 . . 5 1 1 MET N N 122.355 . . 6 2 2 SER H H 8.253 . . 7 2 2 SER CA C 58.541 . . 8 2 2 SER CB C 63.463 . . 9 2 2 SER N N 116.671 . . 10 3 3 GLU H H 8.285 . . 11 3 3 GLU CA C 56.506 . . 12 3 3 GLU CB C 30.086 . . 13 3 3 GLU N N 122.973 . . 14 4 4 ARG H H 8.205 . . 15 4 4 ARG HA H 4.147 . . 16 4 4 ARG CA C 55.919 . . 17 4 4 ARG CB C 30.695 . . 18 4 4 ARG N N 121.957 . . 19 5 5 ALA H H 8.333 . . 20 5 5 ALA HA H 4.100 . . 21 5 5 ALA CA C 52.358 . . 22 5 5 ALA CB C 18.970 . . 23 5 5 ALA N N 125.635 . . 24 6 6 ALA H H 8.294 . . 25 6 6 ALA HA H 4.129 . . 26 6 6 ALA CA C 52.716 . . 27 6 6 ALA CB C 18.952 . . 28 6 6 ALA N N 123.410 . . 29 7 7 ASP H H 8.153 . . 30 7 7 ASP HA H 4.391 . . 31 7 7 ASP CA C 54.286 . . 32 7 7 ASP CB C 40.765 . . 33 7 7 ASP N N 118.465 . . 34 8 8 ASP H H 8.049 . . 35 8 8 ASP HA H 4.446 . . 36 8 8 ASP CA C 54.197 . . 37 8 8 ASP CB C 40.897 . . 38 8 8 ASP N N 120.438 . . 39 9 9 VAL H H 7.997 . . 40 9 9 VAL HA H 3.936 . . 41 9 9 VAL CA C 62.573 . . 42 9 9 VAL CB C 32.071 . . 43 9 9 VAL N N 120.568 . . 44 10 10 ARG H H 8.311 . . 45 10 10 ARG CA C 56.296 . . 46 10 10 ARG CB C 30.446 . . 47 10 10 ARG N N 123.907 . . 48 11 11 GLY H H 8.232 . . 49 11 11 GLY HA2 H 3.789 . . 50 11 11 GLY HA3 H 3.789 . . 51 11 11 GLY CA C 44.874 . . 52 11 11 GLY N N 109.200 . . 53 12 12 GLU H H 8.129 . . 54 12 12 GLU HA H 4.422 . . 55 12 12 GLU CA C 54.166 . . 56 12 12 GLU CB C 29.564 . . 57 12 12 GLU N N 121.798 . . 58 13 13 PRO CA C 62.534 . . 59 13 13 PRO CB C 31.883 . . 60 14 14 ARG H H 8.351 . . 61 14 14 ARG HA H 4.146 . . 62 14 14 ARG CA C 55.846 . . 63 14 14 ARG CB C 30.635 . . 64 14 14 ARG N N 121.680 . . 65 15 15 ARG H H 8.418 . . 66 15 15 ARG HA H 4.139 . . 67 15 15 ARG CA C 55.835 . . 68 15 15 ARG CB C 30.797 . . 69 15 15 ARG N N 121.992 . . 70 16 16 ALA H H 8.370 . . 71 16 16 ALA HA H 4.124 . . 72 16 16 ALA CA C 52.356 . . 73 16 16 ALA CB C 19.005 . . 74 16 16 ALA N N 126.164 . . 75 17 17 ALA H H 8.160 . . 76 17 17 ALA HA H 4.090 . . 77 17 17 ALA CA C 52.322 . . 78 17 17 ALA CB C 18.918 . . 79 17 17 ALA N N 123.291 . . 80 18 18 ALA H H 8.218 . . 81 18 18 ALA HA H 4.096 . . 82 18 18 ALA CA C 52.335 . . 83 18 18 ALA CB C 18.904 . . 84 18 18 ALA N N 123.484 . . 85 19 19 ALA H H 8.297 . . 86 19 19 ALA HA H 4.119 . . 87 19 19 ALA CA C 52.794 . . 88 19 19 ALA CB C 18.984 . . 89 19 19 ALA N N 122.996 . . 90 20 20 ALA CA C 52.542 . . 91 20 20 ALA CB C 18.896 . . 92 21 21 GLY H H 8.322 . . 93 21 21 GLY HA2 H 3.833 . . 94 21 21 GLY HA3 H 3.833 . . 95 21 21 GLY CA C 45.195 . . 96 21 21 GLY N N 108.138 . . 97 22 22 GLY H H 8.182 . . 98 22 22 GLY CA C 45.173 . . 99 22 22 GLY N N 108.825 . . 100 23 23 ALA H H 8.275 . . 101 23 23 ALA HA H 4.095 . . 102 23 23 ALA CA C 53.817 . . 103 23 23 ALA CB C 19.136 . . 104 23 23 ALA N N 124.447 . . 105 24 24 ALA CA C 53.364 . . 106 24 24 ALA CB C 18.354 . . 107 25 25 ALA H H 8.001 . . 108 25 25 ALA HA H 4.065 . . 109 25 25 ALA CA C 53.406 . . 110 25 25 ALA CB C 18.444 . . 111 25 25 ALA N N 122.322 . . 112 26 26 ALA H H 8.004 . . 113 26 26 ALA HA H 4.067 . . 114 26 26 ALA CA C 53.491 . . 115 26 26 ALA CB C 18.570 . . 116 26 26 ALA N N 122.688 . . 117 28 28 ALA H H 7.944 . . 118 28 28 ALA HA H 4.089 . . 119 28 28 ALA CA C 53.391 . . 120 28 28 ALA CB C 18.486 . . 121 28 28 ALA N N 122.015 . . 122 29 29 ARG H H 7.961 . . 123 29 29 ARG HA H 4.077 . . 124 29 29 ARG CA C 57.105 . . 125 29 29 ARG CB C 30.243 . . 126 29 29 ARG N N 119.242 . . 127 30 30 GLN H H 8.101 . . 128 30 30 GLN N N 120.347 . . 129 33 33 GLN H H 8.414 . . 130 33 33 GLN N N 121.898 . . 131 37 37 GLN H H 8.383 . . 132 37 37 GLN N N 121.227 . . 133 38 38 GLN H H 8.348 . . 134 38 38 GLN CA C 56.663 . . 135 38 38 GLN CB C 28.786 . . 136 38 38 GLN N N 121.104 . . 137 39 39 GLN H H 8.189 . . 138 39 39 GLN HA H 4.081 . . 139 39 39 GLN CA C 56.745 . . 140 39 39 GLN CB C 28.931 . . 141 39 39 GLN N N 120.581 . . 142 43 43 PRO CA C 62.858 . . 143 43 43 PRO CB C 31.889 . . 144 44 44 GLN H H 8.399 . . 145 44 44 GLN CA C 55.951 . . 146 44 44 GLN CB C 29.020 . . 147 44 44 GLN N N 121.318 . . 148 45 45 PRO CA C 62.993 . . 149 45 45 PRO CB C 31.959 . . 150 46 46 GLN H H 8.497 . . 151 46 46 GLN HA H 4.127 . . 152 46 46 GLN CA C 55.711 . . 153 46 46 GLN CB C 29.281 . . 154 46 46 GLN N N 120.942 . . 155 47 47 ARG H H 8.399 . . 156 47 47 ARG HA H 4.151 . . 157 47 47 ARG CA C 55.848 . . 158 47 47 ARG CB C 30.785 . . 159 47 47 ARG N N 122.813 . . 160 48 48 GLN H H 8.463 . . 161 48 48 GLN CA C 53.527 . . 162 48 48 GLN CB C 28.828 . . 163 48 48 GLN N N 123.416 . . 164 56 56 ARG CA C 55.820 . . 165 57 57 ARG H H 8.391 . . 166 57 57 ARG CA C 55.777 . . 167 57 57 ARG CB C 30.768 . . 168 57 57 ARG N N 120.800 . . 169 58 58 THR H H 8.283 . . 170 58 58 THR HA H 4.153 . . 171 58 58 THR CA C 61.959 . . 172 58 58 THR CB C 69.675 . . 173 58 58 THR N N 116.273 . . 174 59 59 ARG H H 8.270 . . 175 59 59 ARG HA H 4.545 . . 176 59 59 ARG CA C 53.904 . . 177 59 59 ARG CB C 30.218 . . 178 59 59 ARG N N 123.941 . . 179 60 60 PRO CA C 63.462 . . 180 60 60 PRO CB C 31.878 . . 181 61 61 GLU H H 8.520 . . 182 61 61 GLU HA H 4.107 . . 183 61 61 GLU CA C 56.496 . . 184 61 61 GLU CB C 29.841 . . 185 61 61 GLU N N 119.758 . . 186 62 62 ASP H H 7.789 . . 187 62 62 ASP HA H 4.199 . . 188 62 62 ASP CA C 56.151 . . 189 62 62 ASP CB C 41.922 . . 190 62 62 ASP N N 126.772 . . stop_ save_