PDB-code
| Kinase structure | |
| Kinase: | RNASEL (RNAseL) |
| Family: | Other-Unique |
| Group: | Other |
| Species: | HUMAN |
| PDB: | 4OAV |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-03-12 |
| PubMed: | 24578532 |
| Chain: | D |
| Orthosteric ligand: | ACP |
 | |
| More entries for 4OAV | |||
| 4OAV | Chain: | B | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 62.8° (18.6Å) |
| G-rich loop rotation: | 80.7° |
| Quality Score: | 8 |
| Resolution: | 2.1 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I5 I11 | Ligand No Yes | Protein Yes No |
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | PUP | ||||||||||||||||||
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| Pocket alignment | |
| Uniprot sequence: | YKIADTSEGGIYLVAVKTFRAQREVSCLQSSRSHLVTFYGSFVCVTLCEQ-TLEACLDVLHLSCGYTHQDLQPQNILILADFDKS |
| Sequence structure: | YKIADTSEGGIYLVAVKTFRAQREVSCLQSSRSHLVTFYGSFVCVTLCEQ_TLEACLDVLHLSCGYTHQDLQPQNILILADFDKS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL133463 |
| 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 Y 369 | 2 K 370 | 3 I 371 | 4 A 372 | 5 D 373 | 6 T 374 | 7 S 375 | 8 E 376 | 9 G 377 | 10 G 378 | 11 I 379 | 12 Y 380 | 13 L 381 | 14 V 389 | 15 A 390 | 16 V 391 | 17 K 392 | 18 T 393 | 19 F 394 | 20 R 400 |
| • | • | • | • | • | • | •• | • | ||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 401 | 22 Q 402 | 23 R 403 | 24 E 404 | 25 V 405 | 26 S 406 | 27 C 407 | 28 L 408 | 29 Q 409 | 30 S 410 | 31 S 411 | 32 R 412 | 33 S 415 | 34 H 416 | 35 L 417 | 36 V 418 | 37 T 419 | 38 F 420 | 39 Y 421 | 40 G 422 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 423 | 42 F 431 | 43 V 432 | 44 C 433 | 45 V 434 | 46 T 435 | 47 L 436 | 48 C 437 | 49 E 438 | 50 Q 439 | 51 _ _ | 52 T 440 | 53 L 441 | 54 E 442 | 55 A 443 | 56 C 444 | 57 L 445 | 58 D 446 | 59 V 447 | 60 L 475 |
| • | • | •• | • | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 H 476 | 62 L 477 | 63 S 478 | 64 C 479 | 65 G 480 | 66 Y 481 | 67 T 482 | 68 H 483 | 69 Q 484 | 70 D 485 | 71 L 486 | 72 Q 487 | 73 P 488 | 74 Q 489 | 75 N 490 | 76 I 491 | 77 L 492 | 78 I 493 | 79 L 501 | 80 A 502 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 503 | 82 F 504 | 83 D 505 | 84 K 506 | 85 S 507 | |||||||||||||||
| •• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
