PDB-code
| Kinase structure | |
| Kinase: | PAK5 |
| Family: | STE20 |
| Group: | STE |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2138 |
| PDB: | 2F57 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2005-12-13 |
| PubMed: | 17292838 |
| Chain: | B |
| (Alternate) Model: | B |
| Orthosteric ligand: | 23D |
 | |
| More entries for 2F57 | |||||
| 2F57 | Alternative model: | A | Chain: | A | |
| 2F57 | Alternative model: | A | Chain: | B | |
| 2F57 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 55.7° (16.4Å) |
| G-rich loop rotation: | 51.5° |
| Quality Score: | 9.9 |
| Resolution: | 1.8 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 1 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I1 I2 I3 I5 I11 | Ligand No Yes No No Yes | Protein Yes Yes Yes Yes Yes | |
| Pocket alignment | |
| Uniprot sequence: | IKIGEGSTGIVCIVAVKKMLLFNEVVIMRDYHDNVVDMYSSWVVMEFLEGGALTDIVTHYLHNQGVIHRDIKSDSILLLSDFGFC |
| Sequence structure: | IKIGEGSTGIVCIVAVKKMLLFNEVVIMRDYHDNVVDMYSSWVVMEFLEGGALTDIVTHYLHNQGVIHRDIKSDSILLLSDFGFC |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1532768 |
| Bioaffinities: | 3 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Dual specificity protein kinase CLK2 | 6.3 | 6.3 | 6.3 | pIC50 | 1 |
| Homo sapiens | Dual specificty protein kinase CLK1 | 5.1 | 5.1 | 5.1 | pEC50 | 1 |
| Homo sapiens | Dual specificty protein kinase CLK1 | 6.1 | 6.1 | 6.1 | 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 I 453 | 2 K 454 | 3 I 455 | 4 G 456 | 5 E 457 | 6 G 458 | 7 S 459 | 8 T 460 | 9 G 461 | 10 I 462 | 11 V 463 | 12 C 464 | 13 I 465 | 14 V 475 | 15 A 476 | 16 V 477 | 17 K 478 | 18 K 479 | 19 M 480 | 20 L 490 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 491 | 22 F 492 | 23 N 493 | 24 E 494 | 25 V 495 | 26 V 496 | 27 I 497 | 28 M 498 | 29 R 499 | 30 D 500 | 31 Y 501 | 32 H 502 | 33 D 504 | 34 N 505 | 35 V 506 | 36 V 507 | 37 D 508 | 38 M 509 | 39 Y 510 | 40 S 511 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 S 512 | 42 W 520 | 43 V 521 | 44 V 522 | 45 M 523 | 46 E 524 | 47 F 525 | 48 L 526 | 49 E 527 | 50 G 528 | 51 G 529 | 52 A 530 | 53 L 531 | 54 T 532 | 55 D 533 | 56 I 534 | 57 V 535 | 58 T 536 | 59 H 537 | 60 Y 558 |
| • | • | •• | ••• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 559 | 62 H 560 | 63 N 561 | 64 Q 562 | 65 G 563 | 66 V 564 | 67 I 565 | 68 H 566 | 69 R 567 | 70 D 568 | 71 I 569 | 72 K 570 | 73 S 571 | 74 D 572 | 75 S 573 | 76 I 574 | 77 L 575 | 78 L 576 | 79 L 584 | 80 S 585 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 586 | 82 F 587 | 83 G 588 | 84 F 589 | 85 C 590 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
