PDB-code
| Kinase structure | |
| Kinase: | IGF1R |
| Family: | InsR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1801 |
| PDB: | 3I81 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2009-12-22 |
| PubMed: | 19778024 |
| Chain: | A |
| Orthosteric ligand: | EBI |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 70.3° (20.3Å) |
| G-rich loop rotation: | 78.9° |
| Quality Score: | 9.9 |
| Resolution: | 2.08 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 1 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-I BP-I-B | Cluster I9 | Ligand Yes | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | RELGQGSFGMVYEVAIKTVEFLNEASVMKEFN-HVVRLLGVLVIMELMTRGDLKSYLRSYLNANKFVHRDLAARNCMVIGDFGMT |
| Sequence structure: | RELGQGSFGMVYEVAIKTVEFLNEASVMKEFN_HVVRLLGVLVIMELMTRGDLKSYLRSYLNANKFVHRDLAARNCMVIGDFGMT |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL575448 |
| Bioaffinities: | 8 records for 4 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Mus musculus | Insulin-like growth factor 1 receptor | 7.9 | 7.9 | 7.9 | pIC50 | 1 |
| Homo sapiens | Insulin-like growth factor I receptor | 8.7 | 8.1 | 8.7 | pIC50 | 4 |
| Homo sapiens | Insulin-like growth factor I receptor | 9 | 9 | 9 | pKd | 1 |
| Mus musculus | RAC-alpha serine/threonine-protein kinase | 7.7 | 7.7 | 7.7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-A | 7.5 | 7.5 | 7.5 | pKd | 1 |
Kinase-ligand interaction pattern
• Hydrophobic • Aromatic face-to-face • Aromatic face-to-edge • H-bond donor • H-bond acceptor • Ionic positive • Ionic negative
| I | g.l | II | III | αC | |||||||||||||||
| 1 R 973 | 2 E 974 | 3 L 975 | 4 G 976 | 5 Q 977 | 6 G 978 | 7 S 979 | 8 F 980 | 9 G 981 | 10 M 982 | 11 V 983 | 12 Y 984 | 13 E 985 | 14 V 1000 | 15 A 1001 | 16 I 1002 | 17 K 1003 | 18 T 1004 | 19 V 1005 | 20 E 1016 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 1017 | 22 L 1018 | 23 N 1019 | 24 E 1020 | 25 A 1021 | 26 S 1022 | 27 V 1023 | 28 M 1024 | 29 K 1025 | 30 E 1026 | 31 F 1027 | 32 N 1028 | 33 _ _ | 34 H 1031 | 35 V 1032 | 36 V 1033 | 37 R 1034 | 38 L 1035 | 39 L 1036 | 40 G 1037 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 1038 | 42 L 1046 | 43 V 1047 | 44 I 1048 | 45 M 1049 | 46 E 1050 | 47 L 1051 | 48 M 1052 | 49 T 1053 | 50 R 1054 | 51 G 1055 | 52 D 1056 | 53 L 1057 | 54 K 1058 | 55 S 1059 | 56 Y 1060 | 57 L 1061 | 58 R 1062 | 59 S 1063 | 60 Y 1095 |
| • | • | ••• | • | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 1096 | 62 N 1097 | 63 A 1098 | 64 N 1099 | 65 K 1100 | 66 F 1101 | 67 V 1102 | 68 H 1103 | 69 R 1104 | 70 D 1105 | 71 L 1106 | 72 A 1107 | 73 A 1108 | 74 R 1109 | 75 N 1110 | 76 C 1111 | 77 M 1112 | 78 V 1113 | 79 I 1121 | 80 G 1122 |
| • | • | • | • | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 1123 | 82 F 1124 | 83 G 1125 | 84 M 1126 | 85 T 1127 | |||||||||||||||
| •• | • | • | |||||||||||||||||
Interaction pattern search
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