PDB-code
| Kinase structure | |
| Kinase: | IGF1R |
| Family: | InsR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1801 |
| PDB: | 4D2R |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-04-22 |
| PubMed: | 25738750 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | DYK |
 | |
| More entries for 4D2R | |||||
| 4D2R | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 69.5° (20.1Å) |
| G-rich loop rotation: | 82.7° |
| Quality Score: | 8 |
| Resolution: | 2.1 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I6 | Ligand No No | Protein No Yes | |
| Pocket alignment | |
| Uniprot sequence: | RELGQGSFGMVYEVAIKTVEFLNEASVMKEFN-HVVRLLGVLVIMELMTRGDLKSYLRSYLNANKFVHRDLAARNCMVIGDFGMT |
| Sequence structure: | RELGQGSFGMVYEVAIKTVEFLNEASVMKEFN_HVVRLLGVLVIMELMTRGDLKSYLRSYLNANKFVHRDLAARNCMVIGDFGMT |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3421972 |
| Bioaffinities: | 3 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Dual specificity protein kinase TTK | 7.7 | 7.7 | 7.7 | pIC50 | 1 |
| Homo sapiens | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | 6.9 | 6.9 | 6.9 | pIC50 | 1 |
| Homo sapiens | Insulin-like growth factor I receptor | 5.5 | 5.5 | 5.5 | pIC50 | 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 1003 | 2 E 1004 | 3 L 1005 | 4 G 1006 | 5 Q 1007 | 6 G 1008 | 7 S 1009 | 8 F 1010 | 9 G 1011 | 10 M 1012 | 11 V 1013 | 12 Y 1014 | 13 E 1015 | 14 V 1030 | 15 A 1031 | 16 I 1032 | 17 K 1033 | 18 T 1034 | 19 V 1035 | 20 E 1046 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 1047 | 22 L 1048 | 23 N 1049 | 24 E 1050 | 25 A 1051 | 26 S 1052 | 27 V 1053 | 28 M 1054 | 29 K 1055 | 30 E 1056 | 31 F 1057 | 32 N 1058 | 33 _ _ | 34 H 1061 | 35 V 1062 | 36 V 1063 | 37 R 1064 | 38 L 1065 | 39 L 1066 | 40 G 1067 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 1068 | 42 L 1076 | 43 V 1077 | 44 I 1078 | 45 M 1079 | 46 E 1080 | 47 L 1081 | 48 M 1082 | 49 T 1083 | 50 R 1084 | 51 G 1085 | 52 D 1086 | 53 L 1087 | 54 K 1088 | 55 S 1089 | 56 Y 1090 | 57 L 1091 | 58 R 1092 | 59 S 1093 | 60 Y 1125 |
| • | •• | • | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 1126 | 62 N 1127 | 63 A 1128 | 64 N 1129 | 65 K 1130 | 66 F 1131 | 67 V 1132 | 68 H 1133 | 69 R 1134 | 70 D 1135 | 71 L 1136 | 72 A 1137 | 73 A 1138 | 74 R 1139 | 75 N 1140 | 76 C 1141 | 77 M 1142 | 78 V 1143 | 79 I 1151 | 80 G 1152 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 1153 | 82 F 1154 | 83 G 1155 | 84 M 1156 | 85 T 1157 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
