PDB-code
| Kinase structure | |
| Kinase: | INSR |
| Family: | InsR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1800 |
| PDB: | 3BU5 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2008-02-19 |
| PubMed: | 18278056 |
| Chain: | A |
| Orthosteric ligand: | ATP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 6.8 |
| Resolution: | 2.1 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I5 I6 | Ligand No Yes | Protein Yes No |
| Pocket alignment | |
| Uniprot sequence: | RELGQGSFGMVYEVAVKTVEFLNEASVMKGFT-HVVRLLGVLVVMELMAHGDLKSYLRSYLNAKKFVHRDLAARNCMVIGDFGMT |
| Sequence structure: | RELGQG___MVYEVAVKTVEFLNEASVMKGFT_HVVRLLGVLVVMELMAHGDLKSYLRSYLNAKKFVHRDLAARNCMVIGDFGMT |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14249 |
| Bioaffinities: | 4 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase-activated protein kinase 2 | 5.2 | 4.9 | 5.6 | pIC50 | 3 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 5.6 | 5.6 | 5.6 | 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 1000 | 2 E 1001 | 3 L 1002 | 4 G 1003 | 5 Q 1004 | 6 G 1008 | 7 _ _ | 8 _ _ | 9 _ _ | 10 M 1009 | 11 V 1010 | 12 Y 1011 | 13 E 1012 | 14 V 1027 | 15 A 1028 | 16 V 1029 | 17 K 1030 | 18 T 1031 | 19 V 1032 | 20 E 1043 |
| • | • | • | •• | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 1044 | 22 L 1045 | 23 N 1046 | 24 E 1047 | 25 A 1048 | 26 S 1049 | 27 V 1050 | 28 M 1051 | 29 K 1052 | 30 G 1053 | 31 F 1054 | 32 T 1055 | 33 _ _ | 34 H 1058 | 35 V 1059 | 36 V 1060 | 37 R 1061 | 38 L 1062 | 39 L 1063 | 40 G 1064 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 1065 | 42 L 1073 | 43 V 1074 | 44 V 1075 | 45 M 1076 | 46 E 1077 | 47 L 1078 | 48 M 1079 | 49 A 1080 | 50 H 1081 | 51 G 1082 | 52 D 1083 | 53 L 1084 | 54 K 1085 | 55 S 1086 | 56 Y 1087 | 57 L 1088 | 58 R 1089 | 59 S 1090 | 60 Y 1122 |
| • | • | •• | • | ••• | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 1123 | 62 N 1124 | 63 A 1125 | 64 K 1126 | 65 K 1127 | 66 F 1128 | 67 V 1129 | 68 H 1130 | 69 R 1131 | 70 D 1132 | 71 L 1133 | 72 A 1134 | 73 A 1135 | 74 R 1136 | 75 N 1137 | 76 C 1138 | 77 M 1139 | 78 V 1140 | 79 I 1148 | 80 G 1149 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 1150 | 82 F 1151 | 83 G 1152 | 84 M 1153 | 85 T 1154 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
