PDB-code
| Kinase structure | |
| Kinase: | PI4KB |
| Family: | PIK |
| Group: | Atypical |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2149 |
| PDB: | 4D0M |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2014-05-28 |
| PubMed: | 24876499 |
| Chain: | g |
| Orthosteric ligand: | 093 |
 | |
| More entries for 4D0M | |||
| 4D0M | Chain: | A | |
| 4D0M | Chain: | c | |
| 4D0M | Chain: | C | |
| 4D0M | Chain: | G | |
| 4D0M | Chain: | I | |
| 4D0M | Chain: | M | |
| 4D0M | Chain: | O | |
| 4D0M | Chain: | Q | |
| 4D0M | Chain: | S | |
| 4D0M | Chain: | W | |
| 4D0M | Chain: | Y | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 62.5° (19.3Å) |
| G-rich loop rotation: | 69° |
| Quality Score: | 7.6 |
| Resolution: | 6 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | FP-II BP-I-B | |||
| Pocket alignment | |
| Uniprot sequence: | VVLNSKDKAPYLIVIVKCGDLRQELLAFQVLKLWIKPYKILSGMIEPVVAVSIHQVKKQVCYL--LQVKDRHNGNILLHIDFGFI |
| Sequence structure: | VVLNSKDKAPYLIVIVKCGDLRQELLAFQVLKLWIKPYKILSGMIEPVVAVSIHQVKKQVCYL__LQVKDRHNGNILLHIDFGFI |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1229535 |
| Bioaffinities: | 2 records for 1 kinase |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | DNA-dependent protein kinase | 7.2 | 7.2 | 7.2 | pIC50 | 2 |
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 372 | 2 V 373 | 3 L 374 | 4 N 375 | 5 S 376 | 6 K 377 | 7 D 378 | 8 K 379 | 9 A 380 | 10 P 381 | 11 Y 382 | 12 L 383 | 13 I 384 | 14 V 546 | 15 I 547 | 16 V 548 | 17 K 549 | 18 C 550 | 19 G 551 | 20 D 553 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 554 | 22 R 555 | 23 Q 556 | 24 E 557 | 25 L 558 | 26 L 559 | 27 A 560 | 28 F 561 | 29 Q 562 | 30 V 563 | 31 L 564 | 32 K 565 | 33 L 578 | 34 W 579 | 35 I 580 | 36 K 581 | 37 P 582 | 38 Y 583 | 39 K 584 | 40 I 585 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 L 586 | 42 S 592 | 43 G 593 | 44 M 594 | 45 I 595 | 46 E 596 | 47 P 597 | 48 V 598 | 49 V 599 | 50 A 601 | 51 V 602 | 52 S 603 | 53 I 604 | 54 H 605 | 55 Q 606 | 56 V 607 | 57 K 608 | 58 K 609 | 59 Q 610 | 60 V 648 |
| • | • | • | •• | ||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 C 649 | 62 Y 650 | 63 L 651 | 64 _ _ | 65 _ _ | 66 L 652 | 67 Q 653 | 68 V 654 | 69 K 655 | 70 D 656 | 71 R 657 | 72 H 658 | 73 N 659 | 74 G 660 | 75 N 661 | 76 I 662 | 77 L 663 | 78 L 664 | 79 H 672 | 80 I 673 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 674 | 82 F 675 | 83 G 676 | 84 F 677 | 85 I 678 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
