PDB-code
| Kinase structure | |
| Kinase: | RAF1 |
| Family: | RAF |
| Group: | TKL |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2184 |
| PDB: | 3OMV |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2010-09-15 |
| PubMed: | 20130576 |
| Chain: | A |
| Orthosteric ligand: | SM5 |
 | |
| More entries for 3OMV | |||
| 3OMV | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 46.3° (14.2Å) |
| G-rich loop rotation: | 74.3° |
| Quality Score: | 8 |
| Resolution: | 4 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front gate | BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | TRIGSGSFGTVYKVAVKILAFRNEVAVLRKTRVNILLFMGYAIVTQWCEGSSLYKHLHVYLHAKNIIHRDMKSNNIFLIGDFGLA |
| Sequence structure: | TRIGSGSFGTVYKVAVKILAFRNEVAVLRKTRVNILLFMGYAIVTQWCEGSSLYKHLHVYLHAKNIIHRDMKSNNIFLIGDFGLA |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 T 353 | 2 R 354 | 3 I 355 | 4 G 356 | 5 S 357 | 6 G 358 | 7 S 359 | 8 F 360 | 9 G 361 | 10 T 362 | 11 V 363 | 12 Y 364 | 13 K 365 | 14 V 372 | 15 A 373 | 16 V 374 | 17 K 375 | 18 I 376 | 19 L 377 | 20 A 389 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 390 | 22 R 391 | 23 N 392 | 24 E 393 | 25 V 394 | 26 A 395 | 27 V 396 | 28 L 397 | 29 R 398 | 30 K 399 | 31 T 400 | 32 R 401 | 33 V 403 | 34 N 404 | 35 I 405 | 36 L 406 | 37 L 407 | 38 F 408 | 39 M 409 | 40 G 410 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 Y 411 | 42 A 418 | 43 I 419 | 44 V 420 | 45 T 421 | 46 Q 422 | 47 W 423 | 48 C 424 | 49 E 425 | 50 G 426 | 51 S 427 | 52 S 428 | 53 L 429 | 54 Y 430 | 55 K 431 | 56 H 432 | 57 L 433 | 58 H 434 | 59 V 435 | 60 Y 458 |
| • | •• | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 459 | 62 H 460 | 63 A 461 | 64 K 462 | 65 N 463 | 66 I 464 | 67 I 465 | 68 H 466 | 69 R 467 | 70 D 468 | 71 M 469 | 72 K 470 | 73 S 471 | 74 N 472 | 75 N 473 | 76 I 474 | 77 F 475 | 78 L 476 | 79 I 484 | 80 G 485 |
| •• | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 486 | 82 F 487 | 83 G 488 | 84 L 489 | 85 A 490 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
