PDB-code
| Kinase structure | |
| Kinase: | RPS6KA3-b (RSK2-b) |
| Family: | RSKb |
| Group: | CAMK |
| Species: | HUMAN |
| PDB: | 4JG7 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-04-10 |
| PubMed: | 23540679 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | 1LC |
 | |
| More entries for 4JG7 | |||||
| 4JG7 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 7.4 |
| Resolution: | 3 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 18 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I5 | Ligand Yes | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | EDIGVGSYSVCKRFAVKIIDPTEEIEILLRYGPNIITLKDVYVVTELMKGGELLDKILRYLHAQGVVHRDLKPSNILYICDFGFA |
| Sequence structure: | EDIGV__YSVCKRFAVKIIDPTEEIEILLRYGPNIITLKDVYVVTELMKGGELLDKILRYLHAQGVVHRDLKPSNILYICDFGFA |
| 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 E 426 | 2 D 427 | 3 I 428 | 4 G 429 | 5 V 430 | 6 _ _ | 7 _ _ | 8 Y 433 | 9 S 434 | 10 V 435 | 11 C 436 | 12 K 437 | 13 R 438 | 14 F 448 | 15 A 449 | 16 V 450 | 17 K 451 | 18 I 452 | 19 I 453 | 20 D 459 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 P 460 | 22 T 461 | 23 E 462 | 24 E 463 | 25 I 464 | 26 E 465 | 27 I 466 | 28 L 467 | 29 L 468 | 30 R 469 | 31 Y 470 | 32 G 471 | 33 P 474 | 34 N 475 | 35 I 476 | 36 I 477 | 37 T 478 | 38 L 479 | 39 K 480 | 40 D 481 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 482 | 42 Y 490 | 43 V 491 | 44 V 492 | 45 T 493 | 46 E 494 | 47 L 495 | 48 M 496 | 49 K 497 | 50 G 498 | 51 G 499 | 52 E 500 | 53 L 501 | 54 L 502 | 55 D 503 | 56 K 504 | 57 I 505 | 58 L 506 | 59 R 507 | 60 Y 529 |
| • | •• | ||||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 530 | 62 H 531 | 63 A 532 | 64 Q 533 | 65 G 534 | 66 V 535 | 67 V 536 | 68 H 537 | 69 R 538 | 70 D 539 | 71 L 540 | 72 K 541 | 73 P 542 | 74 S 543 | 75 N 544 | 76 I 545 | 77 L 546 | 78 Y 547 | 79 I 559 | 80 C 560 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 561 | 82 F 562 | 83 G 563 | 84 F 564 | 85 A 565 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
