PDB-code
| Kinase structure | |
| Kinase: | HCK |
| Family: | Src |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2032 |
| PDB: | 4LUD |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-02-12 |
| PubMed: | 24531473 |
| Chain: | A |
| Orthosteric ligand: | SK8 |
 | |
| More entries for 4LUD | |||
| 4LUD | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 55.2° (17.4Å) |
| G-rich loop rotation: | 50.1° |
| Quality Score: | 8.5 |
| Resolution: | 2.85 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 15 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate | BP-I-A BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | KKLGAGQFGEVWMVAVKTMAFLAEANVMKTLQDKLVKLHAVYIITEFMAKGSLLDFLKSFIEQRNYIHRDLRAANILVIADFGLA |
| Sequence structure: | KKLGAGQFGEVWMVAVKTMAFLAEANVMKTLQDKLVKLHAVYIITEFMAKGSLLDFLKSFIEQRNYIHRDLRAANILVIADFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL313417 |
| Bioaffinities: | 3 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase p38 alpha | 6.4 | 6.1 | 7 | pIC50 | 3 |
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 271 | 2 K 272 | 3 L 273 | 4 G 274 | 5 A 275 | 6 G 276 | 7 Q 277 | 8 F 278 | 9 G 279 | 10 E 280 | 11 V 281 | 12 W 282 | 13 M 283 | 14 V 292 | 15 A 293 | 16 V 294 | 17 K 295 | 18 T 296 | 19 M 297 | 20 A 306 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 307 | 22 L 308 | 23 A 309 | 24 E 310 | 25 A 311 | 26 N 312 | 27 V 313 | 28 M 314 | 29 K 315 | 30 T 316 | 31 L 317 | 32 Q 318 | 33 D 320 | 34 K 321 | 35 L 322 | 36 V 323 | 37 K 324 | 38 L 325 | 39 H 326 | 40 A 327 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 328 | 42 Y 335 | 43 I 336 | 44 I 337 | 45 T 338 | 46 E 339 | 47 F 340 | 48 M 341 | 49 A 342 | 50 K 343 | 51 G 344 | 52 S 345 | 53 L 346 | 54 L 347 | 55 D 348 | 56 F 349 | 57 L 350 | 58 K 351 | 59 S 352 | 60 F 376 |
| • | • | •• | •• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 I 377 | 62 E 378 | 63 Q 379 | 64 R 380 | 65 N 381 | 66 Y 382 | 67 I 383 | 68 H 384 | 69 R 385 | 70 D 386 | 71 L 387 | 72 R 388 | 73 A 389 | 74 A 390 | 75 N 391 | 76 I 392 | 77 L 393 | 78 V 394 | 79 I 402 | 80 A 403 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 404 | 82 F 405 | 83 G 406 | 84 L 407 | 85 A 408 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
