PDB-code
| Kinase structure | |
| Kinase: | AKT2 |
| Family: | Akt |
| Group: | AGC |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1480 |
| PDB: | 3E8D |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2008-10-14 |
| PubMed: | 19179070 |
| Chain: | B |
| (Alternate) Model: | B |
| Orthosteric ligand: | G98 |
 | |
| More entries for 3E8D | |||||
| 3E8D | Alternative model: | A | Chain: | A | |
| 3E8D | Alternative model: | A | Chain: | B | |
| 3E8D | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 58.1° (17.9Å) |
| G-rich loop rotation: | 52.3° |
| Quality Score: | 9.4 |
| Resolution: | 2.7 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 6 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate back | BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | KLLGKGTFGKVILYAMKILHTVTESRVLQNTRPFLTALKYACFVMEYANGGELFFHLSRYLHSRDVVYRDIKLENLMLITDFGLC |
| Sequence structure: | KLLGKGTFGKVILYAMKILHTVTESRVLQNTRPFLTALKYACFVMEYANGGELFFHLSRYLHSRDVVYRDIKLENLMLITDFGLC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1099297 |
| Bioaffinities: | 5 records for 3 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Glycogen synthase kinase-3 beta | 7.4 | 7.4 | 7.4 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase AKT | 8.7 | 8.7 | 8.7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase AKT | 9.7 | 9.7 | 9.7 | pKi | 1 |
| Homo sapiens | Serine/threonine-protein kinase AKT2 | 7.8 | 7.8 | 7.8 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase AKT2 | 9 | 9 | 9 | pKi | 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 156 | 2 L 157 | 3 L 158 | 4 G 159 | 5 K 160 | 6 G 161 | 7 T 162 | 8 F 163 | 9 G 164 | 10 K 165 | 11 V 166 | 12 I 167 | 13 L 168 | 14 Y 178 | 15 A 179 | 16 M 180 | 17 K 181 | 18 I 182 | 19 L 183 | 20 H 196 |
| • | • | • | • | • | • | • | • | • | |||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 197 | 22 V 198 | 23 T 199 | 24 E 200 | 25 S 201 | 26 R 202 | 27 V 203 | 28 L 204 | 29 Q 205 | 30 N 206 | 31 T 207 | 32 R 208 | 33 P 210 | 34 F 211 | 35 L 212 | 36 T 213 | 37 A 214 | 38 L 215 | 39 K 216 | 40 Y 217 |
| • | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 218 | 42 C 226 | 43 F 227 | 44 V 228 | 45 M 229 | 46 E 230 | 47 Y 231 | 48 A 232 | 49 N 233 | 50 G 234 | 51 G 235 | 52 E 236 | 53 L 237 | 54 F 238 | 55 F 239 | 56 H 240 | 57 L 241 | 58 S 242 | 59 R 243 | 60 Y 265 |
| • | • | • | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 266 | 62 H 267 | 63 S 268 | 64 R 269 | 65 D 270 | 66 V 271 | 67 V 272 | 68 Y 273 | 69 R 274 | 70 D 275 | 71 I 276 | 72 K 277 | 73 L 278 | 74 E 279 | 75 N 280 | 76 L 281 | 77 M 282 | 78 L 283 | 79 I 291 | 80 T 292 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 293 | 82 F 294 | 83 G 295 | 84 L 296 | 85 C 297 | |||||||||||||||
| •• | • | ||||||||||||||||||
Interaction pattern search
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