PDB-code
| Kinase structure | |
| Kinase: | RPS6KA5-b (MSK1-b) |
| Family: | RSKb |
| Group: | CAMK |
| Species: | HUMAN |
| PDB: | 3KN5 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2010-04-21 |
| PubMed: | 20382163 |
| Chain: | B |
| Orthosteric ligand: | ANP |
 | |
| More entries for 3KN5 | |||
| 3KN5 | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 54.7° (16.8Å) |
| G-rich loop rotation: | 49.5° |
| Quality Score: | 8 |
| Resolution: | 2.4 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I4 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | KPLGEGSFSICRKFAVKIINTQKEITALKLCEPNIVKLHEVFLVMELLNGGELFERIKKHMHDVGVVHRDLKPENLLFIIDFGFA |
| Sequence structure: | KPLGEGSFSICRKFAVKIINTQKEITALKLCEPNIVKLHEVFLVMELLNGGELFERIKKHMHDVGVVHRDLKPENLLFIIDFGFA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230989 |
| 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 K 430 | 2 P 431 | 3 L 432 | 4 G 433 | 5 E 434 | 6 G 435 | 7 S 436 | 8 F 437 | 9 S 438 | 10 I 439 | 11 C 440 | 12 R 441 | 13 K 442 | 14 F 452 | 15 A 453 | 16 V 454 | 17 K 455 | 18 I 456 | 19 I 457 | 20 N 464 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 T 465 | 22 Q 466 | 23 K 467 | 24 E 468 | 25 I 469 | 26 T 470 | 27 A 471 | 28 L 472 | 29 K 473 | 30 L 474 | 31 C 475 | 32 E 476 | 33 P 479 | 34 N 480 | 35 I 481 | 36 V 482 | 37 K 483 | 38 L 484 | 39 H 485 | 40 E 486 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 487 | 42 F 495 | 43 L 496 | 44 V 497 | 45 M 498 | 46 E 499 | 47 L 500 | 48 L 501 | 49 N 502 | 50 G 503 | 51 G 504 | 52 E 505 | 53 L 506 | 54 F 507 | 55 E 508 | 56 R 509 | 57 I 510 | 58 K 511 | 59 K 512 | 60 H 534 |
| • | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 M 535 | 62 H 536 | 63 D 537 | 64 V 538 | 65 G 539 | 66 V 540 | 67 V 541 | 68 H 542 | 69 R 543 | 70 D 544 | 71 L 545 | 72 K 546 | 73 P 547 | 74 E 548 | 75 N 549 | 76 L 550 | 77 L 551 | 78 F 552 | 79 I 563 | 80 I 564 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 565 | 82 F 566 | 83 G 567 | 84 F 568 | 85 A 569 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
