data_26573 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Tom1 negatively modulates binding of Tollip to phosphatidylinositol 3-phosphate via a coupled folding and binding mechanism ; _BMRB_accession_number 26573 _BMRB_flat_file_name bmr26573.str _Entry_type original _Submission_date 2015-05-08 _Accession_date 2015-05-08 _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 Xiao Shuyan . . 2 Capelluto Daniel . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 47 "13C chemical shifts" 142 "15N chemical shifts" 47 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-22 original BMRB . stop_ _Original_release_date 2015-12-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Tom1 Modulates Binding of Tollip to Phosphatidylinositol 3-Phosphate via a Coupled Folding and Binding Mechanism ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26320582 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xiao Shuyan . . 2 Brannon Mary K. . 3 Zhao Xiaolin . . 4 Fread Kristen I. . 5 Ellena Jeffrey F. . 6 Bushweller John H. . 7 Finkielstein Carla V. . 8 Armstrong Geoffrey S. . 9 Capelluto Daniel G.S. . stop_ _Journal_abbreviation Structure _Journal_volume 23 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1910 _Page_last 1920 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TBD _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TBD $TBD stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TBD _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 58 _Mol_residue_sequence ; GPLGSMATTVSTQRGPVYIG ELPQDFLRITPTQQQRQVQL DAQAAQQLQYGGAVGTVG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -4 GLY 2 -3 PRO 3 -2 LEU 4 -1 GLY 5 0 SER 6 1 MET 7 2 ALA 8 3 THR 9 4 THR 10 5 VAL 11 6 SER 12 7 THR 13 8 GLN 14 9 ARG 15 10 GLY 16 11 PRO 17 12 VAL 18 13 TYR 19 14 ILE 20 15 GLY 21 16 GLU 22 17 LEU 23 18 PRO 24 19 GLN 25 20 ASP 26 21 PHE 27 22 LEU 28 23 ARG 29 24 ILE 30 25 THR 31 26 PRO 32 27 THR 33 28 GLN 34 29 GLN 35 30 GLN 36 31 ARG 37 32 GLN 38 33 VAL 39 34 GLN 40 35 LEU 41 36 ASP 42 37 ALA 43 38 GLN 44 39 ALA 45 40 ALA 46 41 GLN 47 42 GLN 48 43 LEU 49 44 GLN 50 45 TYR 51 46 GLY 52 47 GLY 53 48 ALA 54 49 VAL 55 50 GLY 56 51 THR 57 52 VAL 58 53 GLY 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 $TBD 'E. coli' 562 Bacteria . Escherichia coli 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 $TBD 'recombinant technology' . Escherichia coli . PGEX-6P-1 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 $TBD 1.0 mM '[U-99% 13C; U-99% 15N]' 'potassium chloride' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' TRIS 20 mM [U-2H] DSS 50 uM 'natural abundance' DTT 1 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . Goddard . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCACO_5 _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 . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 7.0 . 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_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '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 $chemical_shift_reference_1 _Mol_system_component_name TBD _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 6 MET H H 8.420 0.001 . 2 1 6 MET C C 173.354 0.009 . 3 1 6 MET CA C 52.999 0.000 . 4 1 6 MET CB C 30.018 0.000 . 5 1 6 MET N N 122.157 0.024 . 6 2 7 ALA H H 8.284 0.003 . 7 2 7 ALA C C 175.219 0.023 . 8 2 7 ALA CA C 50.135 0.000 . 9 2 7 ALA CB C 16.450 0.000 . 10 2 7 ALA N N 124.987 0.042 . 11 3 8 THR H H 8.147 0.003 . 12 3 8 THR C C 172.038 0.003 . 13 3 8 THR CA C 59.331 0.000 . 14 3 8 THR CB C 67.242 0.000 . 15 3 8 THR N N 113.165 0.033 . 16 4 9 THR H H 8.137 0.003 . 17 4 9 THR C C 171.825 0.000 . 18 4 9 THR N N 116.714 0.030 . 19 5 10 VAL C C 173.618 0.000 . 20 5 10 VAL CA C 59.601 0.000 . 21 5 10 VAL CB C 29.977 0.000 . 22 6 11 SER H H 8.446 0.005 . 23 6 11 SER C C 172.252 0.019 . 24 6 11 SER CA C 55.769 0.000 . 25 6 11 SER CB C 61.309 0.000 . 26 6 11 SER N N 119.463 0.024 . 27 7 12 THR H H 8.166 0.005 . 28 7 12 THR C C 171.918 0.022 . 29 7 12 THR CA C 59.419 0.000 . 30 7 12 THR CB C 67.166 0.000 . 31 7 12 THR N N 115.975 0.057 . 32 8 13 GLN H H 8.334 0.003 . 33 8 13 GLN C C 173.140 0.019 . 34 8 13 GLN CA C 53.539 0.000 . 35 8 13 GLN CB C 26.696 0.000 . 36 8 13 GLN N N 122.578 0.057 . 37 9 14 ARG H H 8.397 0.004 . 38 9 14 ARG C C 173.647 0.031 . 39 9 14 ARG CA C 53.609 0.000 . 40 9 14 ARG CB C 28.128 0.000 . 41 9 14 ARG N N 122.508 0.045 . 42 10 15 GLY H H 8.235 0.003 . 43 10 15 GLY C C 168.891 0.000 . 44 10 15 GLY CA C 41.882 0.000 . 45 10 15 GLY N N 110.192 0.026 . 46 11 16 PRO C C 174.077 0.057 . 47 11 16 PRO CA C 60.534 0.000 . 48 11 16 PRO CB C 29.325 0.000 . 49 12 17 VAL H H 8.149 0.004 . 50 12 17 VAL C C 172.920 0.021 . 51 12 17 VAL CA C 59.595 0.000 . 52 12 17 VAL CB C 30.135 0.000 . 53 12 17 VAL N N 120.012 0.023 . 54 13 18 TYR H H 8.309 0.003 . 55 13 18 TYR C C 172.719 0.010 . 56 13 18 TYR CA C 55.247 0.000 . 57 13 18 TYR CB C 36.350 0.000 . 58 13 18 TYR N N 124.797 0.037 . 59 14 19 ILE H H 8.103 0.002 . 60 14 19 ILE C C 173.380 0.062 . 61 14 19 ILE CA C 58.392 0.000 . 62 14 19 ILE CB C 36.092 0.000 . 63 14 19 ILE N N 124.054 0.022 . 64 15 20 GLY H H 7.858 0.006 . 65 15 20 GLY C C 170.731 0.019 . 66 15 20 GLY CA C 42.318 0.000 . 67 15 20 GLY N N 112.115 0.034 . 68 16 21 GLU H H 8.207 0.004 . 69 16 21 GLU C C 173.738 0.000 . 70 16 21 GLU CA C 53.703 0.000 . 71 16 21 GLU CB C 27.846 0.000 . 72 16 21 GLU N N 120.169 0.056 . 73 17 22 LEU H H 8.366 0.001 . 74 17 22 LEU N N 124.795 0.001 . 75 18 23 PRO C C 174.606 0.046 . 76 18 23 PRO CA C 60.734 0.000 . 77 18 23 PRO CB C 29.126 0.000 . 78 19 24 GLN H H 8.508 0.003 . 79 19 24 GLN C C 173.383 0.002 . 80 19 24 GLN CA C 53.727 0.000 . 81 19 24 GLN CB C 26.544 0.000 . 82 19 24 GLN N N 120.181 0.025 . 83 20 25 ASP H H 8.313 0.002 . 84 20 25 ASP C C 173.666 0.078 . 85 20 25 ASP CA C 51.990 0.000 . 86 20 25 ASP CB C 38.234 0.000 . 87 20 25 ASP N N 120.307 0.062 . 88 21 26 PHE H H 7.964 0.004 . 89 21 26 PHE C C 173.153 0.027 . 90 21 26 PHE CA C 55.675 0.000 . 91 21 26 PHE CB C 36.497 0.000 . 92 21 26 PHE N N 119.823 0.045 . 93 22 27 LEU H H 8.002 0.003 . 94 22 27 LEU C C 174.269 0.027 . 95 22 27 LEU CA C 52.794 0.000 . 96 22 27 LEU CB C 39.478 0.000 . 97 22 27 LEU N N 122.055 0.045 . 98 23 28 ARG H H 8.034 0.004 . 99 23 28 ARG C C 173.321 0.039 . 100 23 28 ARG CA C 53.398 0.000 . 101 23 28 ARG CB C 27.717 0.000 . 102 23 28 ARG N N 121.233 0.027 . 103 24 29 ILE H H 8.037 0.004 . 104 24 29 ILE C C 173.435 0.012 . 105 24 29 ILE CA C 58.286 0.000 . 106 24 29 ILE CB C 36.092 0.000 . 107 24 29 ILE N N 121.581 0.030 . 108 25 30 THR H H 8.293 0.004 . 109 25 30 THR C C 170.320 0.000 . 110 25 30 THR CA C 57.518 0.000 . 111 25 30 THR CB C 67.237 0.000 . 112 25 30 THR N N 121.079 0.035 . 113 26 31 PRO C C 174.811 0.016 . 114 26 31 PRO CA C 61.045 0.000 . 115 26 31 PRO CB C 29.343 0.000 . 116 27 32 THR H H 8.180 0.003 . 117 27 32 THR C C 172.475 0.028 . 118 27 32 THR CA C 59.677 0.000 . 119 27 32 THR CB C 67.224 0.000 . 120 27 32 THR N N 113.803 0.019 . 121 28 33 GLN H H 8.392 0.005 . 122 28 33 GLN C C 173.759 0.000 . 123 28 33 GLN CA C 53.645 0.000 . 124 28 33 GLN CB C 26.791 0.000 . 125 28 33 GLN N N 122.141 0.039 . 126 30 35 GLN C C 173.849 0.005 . 127 31 36 ARG H H 8.316 0.001 . 128 31 36 ARG C C 173.873 0.000 . 129 31 36 ARG CA C 54.290 0.000 . 130 31 36 ARG CB C 27.940 0.000 . 131 31 36 ARG N N 121.740 0.049 . 132 32 37 GLN H H 8.373 0.001 . 133 32 37 GLN C C 173.606 0.009 . 134 32 37 GLN CA C 53.844 0.000 . 135 32 37 GLN CB C 26.379 0.000 . 136 32 37 GLN N N 121.512 0.013 . 137 33 38 VAL H H 8.101 0.003 . 138 33 38 VAL C C 173.820 0.024 . 139 33 38 VAL CA C 60.763 0.000 . 140 33 38 VAL CB C 29.695 0.000 . 141 33 38 VAL N N 120.898 0.047 . 142 34 39 GLN H H 8.290 0.003 . 143 34 39 GLN C C 173.748 0.034 . 144 34 39 GLN CA C 53.709 0.000 . 145 34 39 GLN CB C 26.338 0.000 . 146 34 39 GLN N N 123.232 0.031 . 147 35 40 LEU H H 8.312 0.005 . 148 35 40 LEU C C 175.171 0.008 . 149 35 40 LEU CA C 53.592 0.000 . 150 35 40 LEU CB C 39.759 0.000 . 151 35 40 LEU N N 123.778 0.050 . 152 36 41 ASP H H 8.392 0.001 . 153 36 41 ASP C C 174.158 0.015 . 154 36 41 ASP CA C 52.036 0.000 . 155 36 41 ASP CB C 38.140 0.000 . 156 36 41 ASP N N 121.158 0.023 . 157 37 42 ALA H H 8.220 0.003 . 158 37 42 ALA C C 176.256 0.013 . 159 37 42 ALA CA C 51.356 0.000 . 160 37 42 ALA CB C 16.004 0.000 . 161 37 42 ALA N N 124.225 0.053 . 162 38 43 GLN H H 8.228 0.004 . 163 38 43 GLN C C 174.288 0.003 . 164 38 43 GLN CA C 54.267 0.000 . 165 38 43 GLN CB C 26.121 0.000 . 166 38 43 GLN N N 118.212 0.052 . 167 39 44 ALA H H 8.084 0.005 . 168 39 44 ALA C C 175.895 0.009 . 169 39 44 ALA CA C 50.745 0.000 . 170 39 44 ALA CB C 16.051 0.000 . 171 39 44 ALA N N 123.888 0.051 . 172 40 45 ALA H H 8.124 0.003 . 173 40 45 ALA C C 175.977 0.009 . 174 40 45 ALA CA C 50.698 0.000 . 175 40 45 ALA CB C 15.980 0.000 . 176 40 45 ALA N N 121.619 0.026 . 177 41 46 GLN H H 8.076 0.004 . 178 41 46 GLN C C 173.857 0.010 . 179 41 46 GLN CA C 54.073 0.000 . 180 41 46 GLN CB C 26.432 0.000 . 181 41 46 GLN N N 118.382 0.053 . 182 42 47 GLN H H 8.316 0.003 . 183 42 47 GLN C C 173.802 0.019 . 184 42 47 GLN CA C 53.762 0.000 . 185 42 47 GLN CB C 26.309 0.000 . 186 42 47 GLN N N 121.113 0.046 . 187 43 48 LEU H H 8.080 0.002 . 188 43 48 LEU C C 174.837 0.034 . 189 43 48 LEU CA C 53.328 0.000 . 190 43 48 LEU CB C 39.513 0.000 . 191 43 48 LEU N N 122.231 0.036 . 192 44 49 GLN H H 8.164 0.004 . 193 44 49 GLN C C 173.153 0.036 . 194 44 49 GLN CA C 53.562 0.000 . 195 44 49 GLN CB C 26.473 0.000 . 196 44 49 GLN N N 120.016 0.033 . 197 45 50 TYR H H 8.190 0.004 . 198 45 50 TYR C C 173.869 0.010 . 199 45 50 TYR CA C 55.551 0.063 . 200 45 50 TYR CB C 35.973 0.007 . 201 45 50 TYR N N 120.704 0.027 . 202 46 51 GLY H H 8.325 0.005 . 203 46 51 GLY C C 171.945 0.038 . 204 46 51 GLY CA C 42.773 0.045 . 205 46 51 GLY N N 110.774 0.040 . 206 47 52 GLY H H 7.928 0.005 . 207 47 52 GLY C C 170.951 0.017 . 208 47 52 GLY CA C 42.389 0.000 . 209 47 52 GLY N N 108.268 0.046 . 210 48 53 ALA H H 8.163 0.002 . 211 48 53 ALA C C 175.184 0.010 . 212 48 53 ALA CA C 49.882 0.028 . 213 48 53 ALA CB C 16.473 0.000 . 214 48 53 ALA N N 123.604 0.041 . 215 49 54 VAL H H 8.153 0.007 . 216 49 54 VAL C C 174.065 0.021 . 217 49 54 VAL CA C 59.882 0.004 . 218 49 54 VAL CB C 29.881 0.051 . 219 49 54 VAL N N 119.516 0.055 . 220 50 55 GLY H H 8.459 0.003 . 221 50 55 GLY C C 171.452 0.032 . 222 50 55 GLY CA C 42.358 0.006 . 223 50 55 GLY N N 112.475 0.032 . 224 51 56 THR H H 8.060 0.003 . 225 51 56 THR C C 171.858 0.040 . 226 51 56 THR CA C 59.283 0.030 . 227 51 56 THR CB C 67.411 0.075 . 228 51 56 THR N N 114.176 0.032 . 229 52 57 VAL H H 8.216 0.005 . 230 52 57 VAL C C 172.891 0.014 . 231 52 57 VAL CA C 59.607 0.000 . 232 52 57 VAL CB C 30.223 0.018 . 233 52 57 VAL N N 122.418 0.077 . 234 53 58 GLY H H 8.048 0.003 . 235 53 58 GLY CA C 43.481 0.000 . 236 53 58 GLY N N 119.046 0.032 . stop_ save_