Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T85435 | Target Info | |||
| Target Name | Insulin receptor (INSR) | ||||
| Synonyms | IR; CD220 antigen; CD220 | ||||
| Target Type | Successful Target | ||||
| Gene Name | INSR | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonotyrosine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | ||||
| InChIKey | DCWXELXMIBXGTH-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 30819 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4XLV Crystal structure of the activated insulin receptor tyrosine kinase dimer | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
SASDVFPSSV
983 YVPDEWEVSR993 EKITLLRELG1003 QGSFGMVYEG1013 NARDIIKGEA1023 ETRVAVKTVN 1033 ESASLRERIE1043 FLNEASVMKG1053 FTCHHVVRLL1063 GVVSKGQPTL1073 VVMELMAHGD 1083 LKSYLRSLRP1093 EAENNPGRPP1103 PTLQEMIQMA1113 AEIADGMAYL1123 NAKKFVHRDL 1133 AARNCMVAHD1143 FTVKIGDFGM1153 TRDIETDRKG1166 GKGLLPVRWM1176 APESLKDGVF 1186 TTSSDMWSFG1196 VVLWEITSLA1206 EQPYQGLSNE1216 QVLKFVMDGG1226 YLDQPDNCPE 1236 RVTDLMRMCW1246 QFNPNMRPTF1256 LEIVNLLKDD1266 LHPSFPEVSF1276 FHSEENK |
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| PDB ID: 1IR3 PHOSPHORYLATED INSULIN RECEPTOR TYROSINE KINASE IN COMPLEX WITH PEPTIDE SUBSTRATE AND ATP ANALOG | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [2] |
| PDB Sequence |
SSVFVPDEWE
990 VSREKITLLR1000 ELGQGSFGMV1010 YEGNARDIIK1020 GEAETRVAVK1030 TVNESASLRE 1040 RIEFLNEASV1050 MKGFTCHHVV1060 RLLGVVSKGQ1070 PTLVVMELMA1080 HGDLKSYLRS 1090 LRPEAENNPG1100 RPPPTLQEMI1110 QMAAEIADGM1120 AYLNAKKFVH1130 RDLAARNCMV 1140 AHDFTVKIGD1150 FGMTRDIETD1161 RKGGKGLLPV1173 RWMAPESLKD1183 GVFTTSSDMW 1193 SFGVVLWEIT1203 SLAEQPYQGL1213 SNEQVLKFVM1223 DGGYLDQPDN1233 CPERVTDLMR 1243 MCWQFNPKMR1253 PTFLEIVNLL1263 KDDLHPSFPE1273 VSFFHSEENK1283 |
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| PDB ID: 3BU5 Crystal structure of the insulin receptor kinase in complex with IRS2 KRLB peptide and ATP | ||||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [3] |
| PDB Sequence |
DEWEVSREKI
996 TLLRELGQGM1009 VYEGNARDII1019 KGEAETRVAV1029 KTVNESASLR1039 ERIEFLNEAS 1049 VMKGFTCHHV1059 VRLLGVVSKG1069 QPTLVVMELM1079 AHGDLKSYLR1089 SLRPEAENNP 1099 GRPPPTLQEM1109 IQMAAEIADG1119 MAYLNAKKFV1129 HRDLAARNCM1139 VAHDFTVKIG 1149 DFGMTRDIET1160 DRKGGKGLLP1172 VRWMAPESLK1182 DGVFTTSSDM1192 WSFGVVLWEI 1202 TSLAEQPYQG1212 LSNEQVLKFV1222 MDGGYLDQPD1232 NCPERVTDLM1242 RMCWQFNPNM 1252 RPTFLEIVNL1262 LKDDLHPSFP1272 EVSFFHSEEN1282 K
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| PDB ID: 1RQQ Crystal Structure of the Insulin Receptor Kinase in Complex with the SH2 Domain of APS | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [4] |
| PDB Sequence |
DEWEVSREKI
996 TLLRELGQGS1006 FGMVYEGNAR1016 DIIKGEAETR1026 VAVKTVNESA1036 SLRERIEFLN 1046 EASVMKGFTC1056 HHVVRLLGVV1066 SKGQPTLVVM1076 ELMAHGDLKS1086 YLRSLRPEAE 1096 NNPGRPPPTL1106 QEMIQMAAEI1116 ADGMAYLNAK1126 KFVHRDLAAR1136 NCMVAHDFTV 1146 KIGDFGMTRD1156 IETDRKGGKG1169 LLPVRWMAPE1179 SLKDGVFTTS1189 SDMWSFGVVL 1199 WEITSLAEQP1209 YQGLSNEQVL1219 KFVMDGGYLD1229 QPDNCPERVT1239 DLMRMCWQFN 1249 PNMRPTFLEI1259 VNLLKDDLHP1269 SFPEVSFFHS1279 EENK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:1126 or .A:1127 or .A:1129 or .A:1131 or .A:1155 or .A:1156 or .A:1157 or .A:1159 or .A:1160 or .A:1161 or .A:1164 or .A:1165 or .A:1184 or .A:1185 or .A:1186 or .A:1187; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 1GAG CRYSTAL STRUCTURE OF THE INSULIN RECEPTOR KINASE IN COMPLEX WITH A BISUBSTRATE INHIBITOR | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [5] |
| PDB Sequence |
SSVFVPDEWE
990 VSREKITLLR1000 ELGQGSFGMV1010 YEGNARDIIK1020 GEAETRVAVK1030 TVNESASLRE 1040 RIEFLNEASV1050 MKGFTCHHVV1060 RLLGVVSKGQ1070 PTLVVMELMA1080 HGDLKSYLRS 1090 LRPEAENNPG1100 RPPPTLQEMI1110 QMAAEIADGM1120 AYLNAKKFVH1130 RDLAARNCMV 1140 AHDFTVKIGD1150 FGMTRDIETD1161 RKGGKGLLPV1173 RWMAPESLKD1183 GVFTTSSDMW 1193 SFGVVLWEIT1203 SLAEQPYQGL1213 SNEQVLKFVM1223 DGGYLDQPDN1233 CPERVTDLMR 1243 MCWQFNPKMR1253 PTFLEIVNLL1263 KDDLHPSFPE1273 VSFFHSEENK1283 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:1126 or .A:1127 or .A:1129 or .A:1131 or .A:1155 or .A:1156 or .A:1157 or .A:1159 or .A:1160 or .A:1161 or .A:1164 or .A:1165 or .A:1166 or .A:1184 or .A:1185 or .A:1186 or .A:1187; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 2Z8C Phosphorylated insulin receptor tyrosine kinase in complex with (4-{[5-carbamoyl-4-(3-methylanilino)pyrimidin-2-yl]amino}phenyl)acetic acid | ||||||
| Method | X-ray diffraction | Resolution | 3.25 Å | Mutation | Yes | [6] |
| PDB Sequence |
FVPDEWEVSR
993 EKITLLRELG1003 QGSFGMVYEG1013 NARDIIKGEA1023 ETRVAVKTVN1033 ESASLRERIE 1043 FLNEASVMKG1053 FTCHHVVRLL1063 GVVSKGQPTL1073 VVMELMAHGD1083 LKSYLRSLRP 1093 EAENNPGRPP1103 PTLQEMIQMA1113 AEIADGMAYL1123 NAKKFVHRDL1133 AARNCMVAHD 1143 FTVKIGDFGM1153 TRDIETDRKG1166 GKGLLPVRWM1176 APESLKDGVF1186 TTSSDMWSFG 1196 VVLWEITSLA1206 EQPYQGLSNE1216 QVLKFVMDGG1226 YLDQPDNCPE1236 RVTDLMRMCW 1246 QFNPKMRPTF1256 LEIVNLLKDD1266 LHPSFPEVSF1276 FHSEENK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:1043 or .A:1127 or .A:1129 or .A:1131 or .A:1155 or .A:1156 or .A:1157 or .A:1159 or .A:1160 or .A:1161 or .A:1164 or .A:1165 or .A:1166 or .A:1184 or .A:1185 or .A:1186; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The insulin and IGF1 receptor kinase domains are functional dimers in the activated state. Nat Commun. 2015 Mar 11;6:6406. | ||||
| REF 2 | Crystal structure of the activated insulin receptor tyrosine kinase in complex with peptide substrate and ATP analog. EMBO J. 1997 Sep 15;16(18):5572-81. | ||||
| REF 3 | Structural and biochemical characterization of the KRLB region in insulin receptor substrate-2. Nat Struct Mol Biol. 2008 Mar;15(3):251-8. | ||||
| REF 4 | Structural basis for recruitment of the adaptor protein APS to the activated insulin receptor. Mol Cell. 2003 Dec;12(6):1379-89. | ||||
| REF 5 | Mechanism-based design of a protein kinase inhibitor. Nat Struct Biol. 2001 Jan;8(1):37-41. | ||||
| REF 6 | Identification of a key element for hydrogen-bonding patterns between protein kinases and their inhibitors. Proteins. 2008 Dec;73(4):795-801. | ||||
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