PDB-code
| Kinase structure | |
| Kinase: | PAK6 |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2137 |
| PDB: | 4KS7 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-09-11 |
| PubMed: | 24204982 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 7KC |
 | |
| More entries for 4KS7 | |||||
| 4KS7 | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 56.7° (17.1Å) |
| G-rich loop rotation: | 60.3° |
| Quality Score: | 8 |
| Resolution: | 1.4 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I2 I4 I5 I9 I11 | Ligand No No No No Yes | Protein No Yes Yes No Yes |
| Pocket alignment | |
| Uniprot sequence: | VKIGEGSTGIVCLVAVKMMLLFNEVVIMRDYQFNVVEMYKSWVLMEFLQGGALTDIVSQYLHAQGVIHRDIKSDSILLLSDFGFC |
| Sequence structure: | VKIGEGSTGIVCLVAVKMMLLFNEVVIMRDYQFNVVEMYKSWVLMEFLQGGALTDIVSQYLHAQGVIHRDIKSDSILLLSDFGFC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3128043 |
| Bioaffinities: | 19 records for 6 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Serine/threonine-protein kinase PAK 1 | 7.9 | 7.9 | 7.9 | pIC50 | 2 |
| Homo sapiens | Serine/threonine-protein kinase PAK 1 | 7.4 | 7.4 | 7.8 | pKi | 3 |
| Homo sapiens | Serine/threonine-protein kinase PAK 2 | 6.7 | 6.7 | 6.7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PAK 3 | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PAK 4 | 7.7 | 7.6 | 8.2 | pIC50 | 6 |
| Homo sapiens | Serine/threonine-protein kinase PAK 4 | 7.7 | 7.4 | 7.8 | pKi | 4 |
| Homo sapiens | Serine/threonine-protein kinase PAK6 | 7.8 | 7.8 | 7.8 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase PAK7 | 7.7 | 7.7 | 7.7 | pIC50 | 1 |
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 V 411 | 2 K 412 | 3 I 413 | 4 G 414 | 5 E 415 | 6 G 416 | 7 S 417 | 8 T 418 | 9 G 419 | 10 I 420 | 11 V 421 | 12 C 422 | 13 L 423 | 14 V 433 | 15 A 434 | 16 V 435 | 17 K 436 | 18 M 437 | 19 M 438 | 20 L 448 |
| • | • | • | • | • | • | • | • | • | |||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 449 | 22 F 450 | 23 N 451 | 24 E 452 | 25 V 453 | 26 V 454 | 27 I 455 | 28 M 456 | 29 R 457 | 30 D 458 | 31 Y 459 | 32 Q 460 | 33 F 462 | 34 N 463 | 35 V 464 | 36 V 465 | 37 E 466 | 38 M 467 | 39 Y 468 | 40 K 469 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 470 | 42 W 478 | 43 V 479 | 44 L 480 | 45 M 481 | 46 E 482 | 47 F 483 | 48 L 484 | 49 Q 485 | 50 G 486 | 51 G 487 | 52 A 488 | 53 L 489 | 54 T 490 | 55 D 491 | 56 I 492 | 57 V 493 | 58 S 494 | 59 Q 495 | 60 Y 516 |
| • | • | •• | ••• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 517 | 62 H 518 | 63 A 519 | 64 Q 520 | 65 G 521 | 66 V 522 | 67 I 523 | 68 H 524 | 69 R 525 | 70 D 526 | 71 I 527 | 72 K 528 | 73 S 529 | 74 D 530 | 75 S 531 | 76 I 532 | 77 L 533 | 78 L 534 | 79 L 542 | 80 S 543 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 544 | 82 F 545 | 83 G 546 | 84 F 547 | 85 C 548 | |||||||||||||||
| ••• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
