PDB-code
| Kinase structure | |
| Kinase: | INSR |
| Family: | InsR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1800 |
| PDB: | 5HHW |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-04-13 |
| PubMed: | 26951750 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 60O |
 | |
| More entries for 5HHW | |||||
| 5HHW | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 58.9° (17.3Å) |
| G-rich loop rotation: | 76.7° |
| Quality Score: | 8 |
| Resolution: | 1.79 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B | Cluster I3 I4 I7 I10 | Ligand No No Yes No | Protein Yes Yes No Yes |
| Pocket alignment | |
| Uniprot sequence: | RELGQGSFGMVYEVAVKTVEFLNEASVMKGFT-HVVRLLGVLVVMELMAHGDLKSYLRSYLNAKKFVHRDLAARNCMVIGDFGMT |
| Sequence structure: | RELGQGSFGMVYEVAVKTVEFLNEASVMKGFT_HVVRLLGVLVVMELMAHGDLKSYLRSYLNAKKFVHRNLAARNCMVIGDFGMT |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 1027 | 2 E 1028 | 3 L 1029 | 4 G 1030 | 5 Q 1031 | 6 G 1032 | 7 S 1033 | 8 F 1034 | 9 G 1035 | 10 M 1036 | 11 V 1037 | 12 Y 1038 | 13 E 1039 | 14 V 1054 | 15 A 1055 | 16 V 1056 | 17 K 1057 | 18 T 1058 | 19 V 1059 | 20 E 1070 |
| • | • | • | • | • | • | •• | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 1071 | 22 L 1072 | 23 N 1073 | 24 E 1074 | 25 A 1075 | 26 S 1076 | 27 V 1077 | 28 M 1078 | 29 K 1079 | 30 G 1080 | 31 F 1081 | 32 T 1082 | 33 _ _ | 34 H 1085 | 35 V 1086 | 36 V 1087 | 37 R 1088 | 38 L 1089 | 39 L 1090 | 40 G 1091 |
| • | • | • | • | • | |||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 1092 | 42 L 1100 | 43 V 1101 | 44 V 1102 | 45 M 1103 | 46 E 1104 | 47 L 1105 | 48 M 1106 | 49 A 1107 | 50 H 1108 | 51 G 1109 | 52 D 1110 | 53 L 1111 | 54 K 1112 | 55 S 1113 | 56 Y 1114 | 57 L 1115 | 58 R 1116 | 59 S 1117 | 60 Y 1149 |
| • | • | • | • | •• | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 1150 | 62 N 1151 | 63 A 1152 | 64 K 1153 | 65 K 1154 | 66 F 1155 | 67 V 1156 | 68 H 1157 | 69 R 1158 | 70 N 1159 | 71 L 1160 | 72 A 1161 | 73 A 1162 | 74 R 1163 | 75 N 1164 | 76 C 1165 | 77 M 1166 | 78 V 1167 | 79 I 1175 | 80 G 1176 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 1177 | 82 F 1178 | 83 G 1179 | 84 M 1180 | 85 T 1181 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
