PDB-code
| Kinase structure | |
| Kinase: | AKT1 |
| Family: | Akt |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1479 |
| PDB: | 5KCV |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-06-29 |
| PubMed: | 27305487 |
| Chain: | A |
| Orthosteric ligand: | 6S1 |
 | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | na |
| G-rich loop angle (distance): | 67.5° (19.7Å) |
| G-rich loop rotation: | 49.2° |
| Quality Score: | 4 |
| Resolution: | 2.7 Å |
| Missing Residues: | 7 |
| Missing Atoms: | 37 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| back | BP-II-out BP-III BP-IV | Cluster I3 I9 | Ligand No No | Protein Yes No |
| Pocket alignment | |
| Uniprot sequence: | KLLGKGTFGKVILYAMKILHTLTENRVLQNSRPFLTALKYSCFVMEYANGGELFFHLSRLHSEKNVVYRDLKLENLMLITDFGLC |
| Sequence structure: | KLLGKGTFGKVILYAMKIL_______VLQNSRPFLTALKYSCFVMEYANGGELFFHLSRLHSEKNVVYRDLKLENLMLITDFGLC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4297188 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 _ _ |
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 _ _ | 24 _ _ | 25 _ _ | 26 _ _ | 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:
