PDB-code
| Kinase structure | |
| Kinase: | PI4KB |
| Family: | PIK |
| Group: | Atypical |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2149 |
| PDB: | 4WAE |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2015-05-20 |
| PubMed: | 25897704 |
| Chain: | A |
| Orthosteric ligand: | ATP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 62.6° (19.2Å) |
| G-rich loop rotation: | 64.3° |
| Quality Score: | 8 |
| Resolution: | 3.32 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | VVLNSKDKAPYLIVIVKCGDLRQELLAFQVLKLWIKPYKILSGMIEPVVAVSIHQVKKQVCYL--LQVKDRHNGNILLHIDFGFI |
| Sequence structure: | VVLNSKDKAPYLIVIVKCGDLRQELLAFQVLKLWIKPYKILSGMIEPVVAVSIHQVKKQVCYL__LQVKDRHNGNILLHIDFGFI |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL14249 |
| Bioaffinities: | 4 records for 2 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | MAP kinase-activated protein kinase 2 | 5.2 | 4.9 | 5.6 | pIC50 | 3 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 7 | 5.6 | 5.6 | 5.6 | pKd | 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 387 | 2 V 388 | 3 L 389 | 4 N 390 | 5 S 391 | 6 K 392 | 7 D 393 | 8 K 394 | 9 A 395 | 10 P 396 | 11 Y 397 | 12 L 398 | 13 I 399 | 14 V 561 | 15 I 562 | 16 V 563 | 17 K 564 | 18 C 565 | 19 G 566 | 20 D 568 |
| • | |||||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 569 | 22 R 570 | 23 Q 571 | 24 E 572 | 25 L 573 | 26 L 574 | 27 A 575 | 28 F 576 | 29 Q 577 | 30 V 578 | 31 L 579 | 32 K 580 | 33 L 593 | 34 W 594 | 35 I 595 | 36 K 596 | 37 P 597 | 38 Y 598 | 39 K 599 | 40 I 600 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 L 601 | 42 S 607 | 43 G 608 | 44 M 609 | 45 I 610 | 46 E 611 | 47 P 612 | 48 V 613 | 49 V 614 | 50 A 616 | 51 V 617 | 52 S 618 | 53 I 619 | 54 H 620 | 55 Q 621 | 56 V 622 | 57 K 623 | 58 K 624 | 59 Q 625 | 60 V 663 |
| • | • | ||||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 664 | 62 Y 665 | 63 L 666 | 64 _ _ | 65 _ _ | 66 L 667 | 67 Q 668 | 68 V 669 | 69 K 670 | 70 D 671 | 71 R 672 | 72 H 673 | 73 N 674 | 74 G 675 | 75 N 676 | 76 I 677 | 77 L 678 | 78 L 679 | 79 H 687 | 80 I 688 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 689 | 82 F 690 | 83 G 691 | 84 F 692 | 85 I 693 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
