PDB-code
| Kinase structure | |
| Kinase: | PIK3C3 |
| Family: | PIK |
| Group: | Atypical |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 2152 |
| PDB: | 6YKG |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-04-14 |
| PubMed: | 33783225 |
| Chain: | A |
| Orthosteric ligand: | OZ8 |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 62.1° (18.7Å) |
| G-rich loop rotation: | 67.8° |
| Quality Score: | 8.4 |
| Resolution: | 3.12 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 12 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-A | Cluster I5 | Ligand Yes | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | ATLFKSALMPAQLVIFKHGDLRQDQLILQIISLKLTPYKVLHGFMQFIQSVPVAEVLDTITYI--LGVGDRHLDNLLLHIDFGYI |
| Sequence structure: | ATLAKSANMPAQLVLFKHGDLRQDQLILQIISLKLTPYKVLHGFLQWIQSVPVAEVLDTITYI__LGVGDRHLDNLLLHIDFGYI |
| Ligand affinity | |
| Ligand not found in ChEMBL. | |
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 A 609 | 2 T 610 | 3 L 611 | 4 A 612 | 5 K 613 | 6 S 614 | 7 A 615 | 8 N 616 | 9 M 617 | 10 P 618 | 11 A 619 | 12 Q 620 | 13 L 621 | 14 V 633 | 15 L 634 | 16 F 635 | 17 K 636 | 18 H 637 | 19 G 638 | 20 D 640 |
| • | • | ||||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 641 | 22 R 642 | 23 Q 643 | 24 D 644 | 25 Q 645 | 26 L 646 | 27 I 647 | 28 L 648 | 29 Q 649 | 30 I 650 | 31 I 651 | 32 S 652 | 33 L 665 | 34 K 666 | 35 L 667 | 36 T 668 | 37 P 669 | 38 Y 670 | 39 K 671 | 40 V 672 |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 L 673 | 42 H 679 | 43 G 680 | 44 F 681 | 45 L 682 | 46 Q 683 | 47 W 684 | 48 I 685 | 49 Q 686 | 50 S 688 | 51 V 689 | 52 P 690 | 53 V 691 | 54 A 692 | 55 E 693 | 56 V 694 | 57 L 695 | 58 D 696 | 59 T 697 | 60 I 736 |
| • | • | •• | •• | • | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 T 737 | 62 Y 738 | 63 I 739 | 64 _ _ | 65 _ _ | 66 L 740 | 67 G 741 | 68 V 742 | 69 G 743 | 70 D 744 | 71 R 745 | 72 H 746 | 73 L 747 | 74 D 748 | 75 N 749 | 76 L 750 | 77 L 751 | 78 L 752 | 79 H 760 | 80 I 761 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 762 | 82 F 763 | 83 G 764 | 84 Y 765 | 85 I 766 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
