PDB-code
| Kinase structure | |
| Kinase: | TYK2-b |
| Family: | JakB |
| Group: | TK |
| Species: | HUMAN |
| PDB: | 8TB6 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2023-10-18 |
| PubMed: | 37823891 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | ZOI |
 | |
| More entries for 8TB6 | |||||
| 8TB6 | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 52.7° (14.7Å) |
| G-rich loop rotation: | 71.3° |
| Quality Score: | 9.6 |
| Resolution: | 1.96 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 4 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | Cluster I10 | Ligand No | Protein Yes | |
| Pocket alignment | |
| Uniprot sequence: | SHLGQGTRTNVYEVVLKVLLAFYETASLMSQVTHLAFVHGVIMVTEYVEHGPLDVWLRRYLENKNLVHGNVCGRNILLLSDPGVG |
| Sequence structure: | SHLGQGTRTNVYEVVLKVLLAFYETASLMSQVTHLAFVHGVIMVTEYVEHGPLDVWLRRYLENKNLVHGNVCGRNILLLSDPGVG |
| 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 S 593 | 2 H 594 | 3 L 595 | 4 G 596 | 5 Q 597 | 6 G 598 | 7 T 599 | 8 R 600 | 9 T 601 | 10 N 602 | 11 V 603 | 12 Y 604 | 13 E 605 | 14 V 639 | 15 V 640 | 16 L 641 | 17 K 642 | 18 V 643 | 19 L 644 | 20 L 653 |
| • | • | • | • | • | • | •• | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 A 654 | 22 F 655 | 23 Y 656 | 24 E 657 | 25 T 658 | 26 A 659 | 27 S 660 | 28 L 661 | 29 M 662 | 30 S 663 | 31 Q 664 | 32 V 665 | 33 T 668 | 34 H 669 | 35 L 670 | 36 A 671 | 37 F 672 | 38 V 673 | 39 H 674 | 40 G 675 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 676 | 42 I 684 | 43 M 685 | 44 V 686 | 45 T 687 | 46 E 688 | 47 Y 689 | 48 V 690 | 49 E 691 | 50 H 692 | 51 G 693 | 52 P 694 | 53 L 695 | 54 D 696 | 55 V 697 | 56 W 698 | 57 L 699 | 58 R 700 | 59 R 701 | 60 Y 724 |
| • | •• | •• | • | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 725 | 62 E 726 | 63 N 727 | 64 K 728 | 65 N 729 | 66 L 730 | 67 V 731 | 68 H 732 | 69 G 733 | 70 N 734 | 71 V 735 | 72 C 736 | 73 G 737 | 74 R 738 | 75 N 739 | 76 I 740 | 77 L 741 | 78 L 742 | 79 L 757 | 80 S 758 |
| • | • | • | •• | ||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 759 | 82 P 760 | 83 G 761 | 84 V 762 | 85 G 763 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
