PDB-code
| Kinase structure | |
| Kinase: | CAMKK2 (CaMKK2) |
| Family: | CAMKK |
| Group: | Other |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1957 |
| PDB: | 5YVC |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-12-05 |
| PubMed: | 32348940 |
| Chain: | A |
| Orthosteric ligand: | SU6 |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 45.9° (13.8Å) |
| G-rich loop rotation: | 69.7° |
| Quality Score: | 8 |
| Resolution: | 2.02 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | Cluster I3 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | DEIGKGSYGVVKLYAMKVLQVYQEIAILKKLDPNVVKLVEVYMVFELVNQGPVMEVPTLYLHYQKIIHRDIKPSNLLVIADFGVS |
| Sequence structure: | DEIGKGSYGVVKLYAMKVLQVYQEIAILKKLDPNVVKLVEVYMVFELVNQGPVMEVPTLYLHYQKIIHRDIKPSNLLVIADFGVS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL274654 |
| Bioaffinities: | 21 records for 7 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Fibroblast growth factor receptor 1 | 5.5 | 5 | 5.7 | pIC50 | 5 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 7.2 | 4.8 | 7.3 | pIC50 | 5 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-B | 7.3 | 7.3 | 7.5 | pIC50 | 2 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-C | 6.7 | 6.7 | 6.7 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase ZAP-70 | 4.6 | 4.6 | 4.6 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 7.6 | 7.6 | 7.6 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 5.6 | 5.4 | 6.9 | pIC50 | 6 |
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 D 169 | 2 E 170 | 3 I 171 | 4 G 172 | 5 K 173 | 6 G 174 | 7 S 175 | 8 Y 176 | 9 G 177 | 10 V 178 | 11 V 179 | 12 K 180 | 13 L 181 | 14 Y 191 | 15 A 192 | 16 M 193 | 17 K 194 | 18 V 195 | 19 L 196 | 20 Q 232 |
| • | • | • | ••• | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 V 233 | 22 Y 234 | 23 Q 235 | 24 E 236 | 25 I 237 | 26 A 238 | 27 I 239 | 28 L 240 | 29 K 241 | 30 K 242 | 31 L 243 | 32 D 244 | 33 P 246 | 34 N 247 | 35 V 248 | 36 V 249 | 37 K 250 | 38 L 251 | 39 V 252 | 40 E 253 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 254 | 42 Y 264 | 43 M 265 | 44 V 266 | 45 F 267 | 46 E 268 | 47 L 269 | 48 V 270 | 49 N 271 | 50 Q 272 | 51 G 273 | 52 P 274 | 53 V 275 | 54 M 276 | 55 E 277 | 56 V 278 | 57 P 279 | 58 T 280 | 59 L 281 | 60 Y 302 |
| • | • | • | •• | • | • | • | • | ||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 303 | 62 H 304 | 63 Y 305 | 64 Q 306 | 65 K 307 | 66 I 308 | 67 I 309 | 68 H 310 | 69 R 311 | 70 D 312 | 71 I 313 | 72 K 314 | 73 P 315 | 74 S 316 | 75 N 317 | 76 L 318 | 77 L 319 | 78 V 320 | 79 I 328 | 80 A 329 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 330 | 82 F 331 | 83 G 332 | 84 V 333 | 85 S 334 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
