PDB-code
| Kinase structure | |
| Kinase: | KIT |
| Family: | PDGFR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1805 |
| PDB: | 6GQJ |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2018-09-19 |
| PubMed: | 30204441 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | F82 |
 | |
| More entries for 6GQJ | |||||
| 6GQJ | Alternative model: | A | Chain: | A | |
| 6GQJ | Alternative model: | A | Chain: | B | |
| 6GQJ | Alternative model: | B | Chain: | B | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 56.6° (18Å) |
| G-rich loop rotation: | 40.9° |
| Quality Score: | 7.6 |
| Resolution: | 2.33 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B BP-II-out BP-III | Cluster I1 | Ligand No | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | KTLGAGAFGKVVEVAVKMLALMSELKVLSYLGMNIVNLLGALVITEYCCYGDLLNFLRRFLASKNCIHRDLAARNILLICDFGLA |
| Sequence structure: | KTLGAGAFGKVVEVAVKMLALMSELKVLSYLGENIVNLLGALVITEYCCYGDLLNFLRRFLASKNCIHRDLAARNILLICDFGLA |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL4212563 |
| Bioaffinities: | No (p)Ki/(p)IC50/(p)EC50 values for kinases found (confidence ≥ 8). |
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 K 593 | 2 T 594 | 3 L 595 | 4 G 596 | 5 A 597 | 6 G 598 | 7 A 599 | 8 F 600 | 9 G 601 | 10 K 602 | 11 V 603 | 12 V 604 | 13 E 605 | 14 V 620 | 15 A 621 | 16 V 622 | 17 K 623 | 18 M 624 | 19 L 625 | 20 A 636 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 637 | 22 M 638 | 23 S 639 | 24 E 640 | 25 L 641 | 26 K 642 | 27 V 643 | 28 L 644 | 29 S 645 | 30 Y 646 | 31 L 647 | 32 G 648 | 33 E 651 | 34 N 652 | 35 I 653 | 36 V 654 | 37 N 655 | 38 L 656 | 39 L 657 | 40 G 658 |
| •• | • | • | • | ||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 659 | 42 L 667 | 43 V 668 | 44 I 669 | 45 T 670 | 46 E 671 | 47 Y 672 | 48 C 673 | 49 C 674 | 50 Y 675 | 51 G 676 | 52 D 677 | 53 L 678 | 54 L 679 | 55 N 680 | 56 F 681 | 57 L 682 | 58 R 683 | 59 R 684 | 60 F 782 |
| • | • | • | • | •• | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 783 | 62 A 784 | 63 S 785 | 64 K 786 | 65 N 787 | 66 C 788 | 67 I 789 | 68 H 790 | 69 R 791 | 70 D 792 | 71 L 793 | 72 A 794 | 73 A 795 | 74 R 796 | 75 N 797 | 76 I 798 | 77 L 799 | 78 L 800 | 79 I 808 | 80 C 809 |
| • | • | • | • | • | |||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 810 | 82 F 811 | 83 G 812 | 84 L 813 | 85 A 814 | |||||||||||||||
| •• | •• | ||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
