data_26864 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ScribPDZ4withp22phoxC10 ; _BMRB_accession_number 26864 _BMRB_flat_file_name bmr26864.str _Entry_type original _Submission_date 2016-07-30 _Accession_date 2016-07-30 _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 Umitsu Masataka . . 2 Ikura Mitsuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 82 "15N chemical shifts" 82 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-06 update BMRB 'update entry citation' 2016-08-23 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26863 ScribPDZ4apo stop_ _Original_release_date 2016-08-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; An interaction between Scribble and the NADPH oxidase complex controls M1 macrophage polarization and function ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27694890 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zheng Weiyue . . 2 Umitsu Masataka . . 3 Jagan Ishaan . . 4 Tran Charles W. . 5 Ishiyama Noboru . . 6 BeGora Michael . . 7 Araki Kiyomi . . 8 Ohashi Pamela S. . 9 Ikura Mitsuhiko . . 10 Muthuswamy Senthil K. . stop_ _Journal_abbreviation 'Nat. Cell. Biol.' _Journal_name_full 'Nature Cell Biolgy' _Journal_volume 18 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1244 _Page_last 1252 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ScribPDZ4withp22peptide _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ScribPDZ4 $ScribPDZ4 p22peptideC10 $p22phox_peptide 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_ScribPDZ4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ScribPDZ4 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GSHMPGLRELCIQKAPGERL GISIRGGARGHAGNPRDPTD EGIFISKVSPTGAAGRDGRL RVGLRLLEVNQQSLLGLTHG EAVQLLRSVGDTLTVLVCDG FE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 HIS 4 0 MET 5 1096 PRO 6 1097 GLY 7 1098 LEU 8 1099 ARG 9 1100 GLU 10 1101 LEU 11 1102 CYS 12 1103 ILE 13 1104 GLN 14 1105 LYS 15 1106 ALA 16 1107 PRO 17 1108 GLY 18 1109 GLU 19 1110 ARG 20 1111 LEU 21 1112 GLY 22 1113 ILE 23 1114 SER 24 1115 ILE 25 1116 ARG 26 1117 GLY 27 1118 GLY 28 1119 ALA 29 1120 ARG 30 1121 GLY 31 1122 HIS 32 1123 ALA 33 1124 GLY 34 1125 ASN 35 1126 PRO 36 1127 ARG 37 1128 ASP 38 1129 PRO 39 1130 THR 40 1131 ASP 41 1132 GLU 42 1133 GLY 43 1134 ILE 44 1135 PHE 45 1136 ILE 46 1137 SER 47 1138 LYS 48 1139 VAL 49 1140 SER 50 1141 PRO 51 1142 THR 52 1143 GLY 53 1144 ALA 54 1145 ALA 55 1146 GLY 56 1147 ARG 57 1148 ASP 58 1149 GLY 59 1150 ARG 60 1151 LEU 61 1152 ARG 62 1153 VAL 63 1154 GLY 64 1155 LEU 65 1156 ARG 66 1157 LEU 67 1158 LEU 68 1159 GLU 69 1160 VAL 70 1161 ASN 71 1162 GLN 72 1163 GLN 73 1164 SER 74 1165 LEU 75 1166 LEU 76 1167 GLY 77 1168 LEU 78 1169 THR 79 1170 HIS 80 1171 GLY 81 1172 GLU 82 1173 ALA 83 1174 VAL 84 1175 GLN 85 1176 LEU 86 1177 LEU 87 1178 ARG 88 1179 SER 89 1180 VAL 90 1181 GLY 91 1182 ASP 92 1183 THR 93 1184 LEU 94 1185 THR 95 1186 VAL 96 1187 LEU 97 1188 VAL 98 1189 CYS 99 1190 ASP 100 1191 GLY 101 1192 PHE 102 1193 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_p22phox_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common p22phox_peptide _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 10 _Mol_residue_sequence ; NPIPVTDEVV ; loop_ _Residue_seq_code _Residue_label 1 ASN 2 PRO 3 ILE 4 PRO 5 VAL 6 THR 7 ASP 8 GLU 9 VAL 10 VAL 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 $ScribPDZ4 Human 9606 Eukaryota Metazoa Homo sapiens $p22phox_peptide 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 $ScribPDZ4 'recombinant technology' . . . . pET28a $p22phox_peptide 'chemical synthesis' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_ScribPDZ4_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ScribPDZ4 0.2 mM '[U-100% 15N]' $p22phox_peptide 5.32 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . 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_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'For titration experiment' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $ScribPDZ4_15N 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' 0.1 . M pH 6 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 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' stop_ loop_ _Sample_label $ScribPDZ4_15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ScribPDZ4 _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 1097 6 GLY H H 8.80 . 1 2 1097 6 GLY N N 111.20 . 1 3 1098 7 LEU H H 7.47 . 1 4 1098 7 LEU N N 122.43 . 1 5 1099 8 ARG H H 8.92 . 1 6 1099 8 ARG N N 122.50 . 1 7 1100 9 GLU H H 8.60 . 1 8 1100 9 GLU N N 123.69 . 1 9 1101 10 LEU H H 9.16 . 1 10 1101 10 LEU N N 126.01 . 1 11 1103 12 ILE H H 9.33 . 1 12 1103 12 ILE N N 130.20 . 1 13 1104 13 GLN H H 8.62 . 1 14 1104 13 GLN N N 126.29 . 1 15 1105 14 LYS H H 8.87 . 1 16 1105 14 LYS N N 123.38 . 1 17 1106 15 ALA H H 9.11 . 1 18 1106 15 ALA N N 126.76 . 1 19 1108 17 GLY H H 8.81 . 1 20 1108 17 GLY N N 112.47 . 1 21 1109 18 GLU H H 7.96 . 1 22 1109 18 GLU N N 122.26 . 1 23 1110 19 ARG H H 8.58 . 1 24 1110 19 ARG N N 122.90 . 1 25 1111 20 LEU H H 9.99 . 1 26 1111 20 LEU N N 124.12 . 1 27 1112 21 GLY H H 10.01 . 1 28 1112 21 GLY N N 107.33 . 1 29 1113 22 ILE H H 7.71 . 1 30 1113 22 ILE N N 112.92 . 1 31 1114 23 SER H H 8.47 . 1 32 1114 23 SER N N 116.37 . 1 33 1115 24 ILE H H 9.24 . 1 34 1115 24 ILE N N 116.93 . 1 35 1116 25 ARG H H 9.36 . 1 36 1116 25 ARG N N 120.06 . 1 37 1117 26 GLY H H 8.83 . 1 38 1117 26 GLY N N 109.85 . 1 39 1118 27 GLY H H 7.35 . 1 40 1118 27 GLY N N 106.88 . 1 41 1120 29 ARG H H 8.86 . 1 42 1120 29 ARG N N 119.45 . 1 43 1121 30 GLY H H 8.16 . 1 44 1121 30 GLY N N 107.83 . 1 45 1123 32 ALA H H 8.43 . 1 46 1123 32 ALA N N 124.77 . 1 47 1124 33 GLY H H 8.78 . 1 48 1124 33 GLY N N 109.69 . 1 49 1125 34 ASN H H 8.49 . 1 50 1125 34 ASN N N 119.24 . 1 51 1127 36 ARG H H 8.06 . 1 52 1127 36 ARG N N 117.29 . 1 53 1128 37 ASP H H 7.73 . 1 54 1128 37 ASP N N 119.01 . 1 55 1130 39 THR H H 8.27 . 1 56 1130 39 THR N N 111.75 . 1 57 1131 40 ASP H H 7.87 . 1 58 1131 40 ASP N N 122.65 . 1 59 1132 41 GLU H H 8.59 . 1 60 1132 41 GLU N N 124.52 . 1 61 1133 42 GLY H H 8.66 . 1 62 1133 42 GLY N N 107.85 . 1 63 1134 43 ILE H H 8.38 . 1 64 1134 43 ILE N N 119.62 . 1 65 1135 44 PHE H H 8.78 . 1 66 1135 44 PHE N N 123.16 . 1 67 1136 45 ILE H H 8.79 . 1 68 1136 45 ILE N N 120.10 . 1 69 1137 46 SER H H 9.61 . 1 70 1137 46 SER N N 126.13 . 1 71 1138 47 LYS H H 7.28 . 1 72 1138 47 LYS N N 123.43 . 1 73 1139 48 VAL H H 8.64 . 1 74 1139 48 VAL N N 123.46 . 1 75 1140 49 SER H H 8.68 . 1 76 1140 49 SER N N 123.37 . 1 77 1142 51 THR H H 7.54 . 1 78 1142 51 THR N N 104.37 . 1 79 1143 52 GLY H H 7.24 . 1 80 1143 52 GLY N N 110.12 . 1 81 1144 53 ALA H H 8.52 . 1 82 1144 53 ALA N N 120.54 . 1 83 1145 54 ALA H H 8.97 . 1 84 1145 54 ALA N N 118.64 . 1 85 1146 55 GLY H H 9.44 . 1 86 1146 55 GLY N N 113.04 . 1 87 1147 56 ARG H H 8.17 . 1 88 1147 56 ARG N N 121.20 . 1 89 1148 57 ASP H H 7.69 . 1 90 1148 57 ASP N N 118.87 . 1 91 1149 58 GLY H H 7.69 . 1 92 1149 58 GLY N N 102.87 . 1 93 1150 59 ARG H H 8.00 . 1 94 1150 59 ARG N N 119.25 . 1 95 1151 60 LEU H H 9.11 . 1 96 1151 60 LEU N N 119.36 . 1 97 1152 61 ARG H H 6.32 . 1 98 1152 61 ARG N N 115.19 . 1 99 1154 63 GLY H H 8.99 . 1 100 1154 63 GLY N N 114.90 . 1 101 1155 64 LEU H H 7.06 . 1 102 1155 64 LEU N N 116.53 . 1 103 1157 66 LEU H H 8.49 . 1 104 1157 66 LEU N N 125.71 . 1 105 1158 67 LEU H H 8.90 . 1 106 1158 67 LEU N N 122.90 . 1 107 1159 68 GLU H H 7.53 . 1 108 1159 68 GLU N N 116.56 . 1 109 1160 69 VAL H H 8.40 . 1 110 1160 69 VAL N N 120.29 . 1 111 1161 70 ASN H H 9.93 . 1 112 1161 70 ASN N N 129.86 . 1 113 1162 71 GLN H H 9.19 . 1 114 1162 71 GLN N N 107.56 . 1 115 1163 72 GLN H H 7.89 . 1 116 1163 72 GLN N N 111.54 . 1 117 1164 73 SER H H 8.71 . 1 118 1164 73 SER N N 118.28 . 1 119 1165 74 LEU H H 8.08 . 1 120 1165 74 LEU N N 124.87 . 1 121 1166 75 LEU H H 8.13 . 1 122 1166 75 LEU N N 123.13 . 1 123 1167 76 GLY H H 8.76 . 1 124 1167 76 GLY N N 113.58 . 1 125 1168 77 LEU H H 7.62 . 1 126 1168 77 LEU N N 120.18 . 1 127 1169 78 THR H H 9.02 . 1 128 1169 78 THR N N 112.69 . 1 129 1170 79 HIS H H 9.55 . 1 130 1170 79 HIS N N 120.40 . 1 131 1171 80 GLY H H 8.94 . 1 132 1171 80 GLY N N 104.25 . 1 133 1172 81 GLU H H 7.80 . 1 134 1172 81 GLU N N 122.06 . 1 135 1174 83 VAL H H 8.36 . 1 136 1174 83 VAL N N 118.15 . 1 137 1175 84 GLN H H 7.70 . 1 138 1175 84 GLN N N 117.55 . 1 139 1176 85 LEU H H 7.76 . 1 140 1176 85 LEU N N 120.59 . 1 141 1177 86 LEU H H 8.05 . 1 142 1177 86 LEU N N 119.35 . 1 143 1178 87 ARG H H 8.23 . 1 144 1178 87 ARG N N 117.16 . 1 145 1180 89 VAL H H 7.08 . 1 146 1180 89 VAL N N 117.22 . 1 147 1181 90 GLY H H 8.70 . 1 148 1181 90 GLY N N 112.94 . 1 149 1182 91 ASP H H 8.31 . 1 150 1182 91 ASP N N 119.74 . 1 151 1184 93 LEU H H 9.04 . 1 152 1184 93 LEU N N 126.52 . 1 153 1185 94 THR H H 8.84 . 1 154 1185 94 THR N N 120.07 . 1 155 1186 95 VAL H H 9.26 . 1 156 1186 95 VAL N N 120.82 . 1 157 1187 96 LEU H H 8.32 . 1 158 1187 96 LEU N N 126.95 . 1 159 1188 97 VAL H H 9.02 . 1 160 1188 97 VAL N N 119.45 . 1 161 1189 98 CYS H H 8.62 . 1 162 1189 98 CYS N N 112.64 . 1 163 1191 100 GLY H H 8.52 . 1 164 1191 100 GLY N N 109.94 . 1 stop_ save_