PDB-code
| Kinase structure | |
| Kinase: | AKT1 |
| Family: | Akt |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1479 |
| PDB: | 3CQW |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2008-05-27 |
| PubMed: | 18456494 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | CQW |
 | |
| More entries for 3CQW | |||||
| 3CQW | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 58.3° (17.9Å) |
| G-rich loop rotation: | 52.8° |
| Quality Score: | 8 |
| Resolution: | 2 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | KLLGKGTFGKVILYAMKILHTLTENRVLQNSRPFLTALKYSCFVMEYANGGELFFHLSRLHSEKNVVYRDLKLENLMLITDFGLC |
| Sequence structure: | KLLGKGTFGKVILYAMKILHTLTENRVLQNSRPFLTALKYSCFVMEYANGGELFFHLSRLHSEKNVVYRDLKLENLMLITDFGLC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL259833 |
| Bioaffinities: | 1 record for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Serine/threonine-protein kinase AKT | 7.4 | 7.4 | 7.4 | 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 K 154 | 2 L 155 | 3 L 156 | 4 G 157 | 5 K 158 | 6 G 159 | 7 T 160 | 8 F 161 | 9 G 162 | 10 K 163 | 11 V 164 | 12 I 165 | 13 L 166 | 14 Y 176 | 15 A 177 | 16 M 178 | 17 K 179 | 18 I 180 | 19 L 181 | 20 H 194 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 195 | 22 L 196 | 23 T 197 | 24 E 198 | 25 N 199 | 26 R 200 | 27 V 201 | 28 L 202 | 29 Q 203 | 30 N 204 | 31 S 205 | 32 R 206 | 33 P 208 | 34 F 209 | 35 L 210 | 36 T 211 | 37 A 212 | 38 L 213 | 39 K 214 | 40 Y 215 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 216 | 42 C 224 | 43 F 225 | 44 V 226 | 45 M 227 | 46 E 228 | 47 Y 229 | 48 A 230 | 49 N 231 | 50 G 232 | 51 G 233 | 52 E 234 | 53 L 235 | 54 F 236 | 55 F 237 | 56 H 238 | 57 L 239 | 58 S 240 | 59 R 241 | 60 L 264 |
| • | • | •• | •• | •• | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 H 265 | 62 S 266 | 63 E 267 | 64 K 268 | 65 N 269 | 66 V 270 | 67 V 271 | 68 Y 272 | 69 R 273 | 70 D 274 | 71 L 275 | 72 K 276 | 73 L 277 | 74 E 278 | 75 N 279 | 76 L 280 | 77 M 281 | 78 L 282 | 79 I 290 | 80 T 291 |
| • | • | • | •• | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 292 | 82 F 293 | 83 G 294 | 84 L 295 | 85 C 296 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
