PDB-code
| Kinase structure | |
| Kinase: | FLT3 |
| Family: | PDGFR |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1807 |
| PDB: | 6JQR |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2019-11-20 |
| PubMed: | 31692922 |
| Chain: | A |
| Orthosteric ligand: | C6F |
 | |
| Structural information | |
| DFG conformation: | out-like |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 60.1° (18.5Å) |
| G-rich loop rotation: | 49.1° |
| Quality Score: | 7.7 |
| Resolution: | 2.2 Å |
| Missing Residues: | 3 |
| Missing Atoms: | 11 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Allosteric Ligand | |||||||||||||||||||
| Allosteric ligand: | CXS | ||||||||||||||||||
 | |||||||||||||||||||
| Pocket alignment | |
| Uniprot sequence: | KVLGSGAFGKVMNVAVKMLALMSELKMMTQLGENIVNLLGAYLIFEYCCYGDLLNYLRSFLEFKSCVHRDLAARNVLVICDFGLA |
| Sequence structure: | KVLGSGAFGKVMNVAVKMLALMSELKMMTQLGENIVNLLGAYLIFEYCCYGDLLNYLRSFLEFKSCVHRDLAARNVLVICDF___ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3301622 |
| Bioaffinities: | 4 records for 4 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | ALK tyrosine kinase receptor | 8.8 | 8.8 | 8.8 | pIC50 | 1 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase ROS | 8.7 | 8.7 | 8.7 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 9.4 | 9.4 | 9.4 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 8.5 | 8.5 | 8.5 | pIC50 | 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 K 614 | 2 V 615 | 3 L 616 | 4 G 617 | 5 S 618 | 6 G 619 | 7 A 620 | 8 F 621 | 9 G 622 | 10 K 623 | 11 V 624 | 12 M 625 | 13 N 626 | 14 V 641 | 15 A 642 | 16 V 643 | 17 K 644 | 18 M 645 | 19 L 646 | 20 A 657 |
| • | • | • | • | ||||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 L 658 | 22 M 659 | 23 S 660 | 24 E 661 | 25 L 662 | 26 K 663 | 27 M 664 | 28 M 665 | 29 T 666 | 30 Q 667 | 31 L 668 | 32 G 669 | 33 E 672 | 34 N 673 | 35 I 674 | 36 V 675 | 37 N 676 | 38 L 677 | 39 L 678 | 40 G 679 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 680 | 42 Y 688 | 43 L 689 | 44 I 690 | 45 F 691 | 46 E 692 | 47 Y 693 | 48 C 694 | 49 C 695 | 50 Y 696 | 51 G 697 | 52 D 698 | 53 L 699 | 54 L 700 | 55 N 701 | 56 Y 702 | 57 L 703 | 58 R 704 | 59 S 705 | 60 F 801 |
| • | •• | •• | • | • | • | • | |||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 802 | 62 E 803 | 63 F 804 | 64 K 805 | 65 S 806 | 66 C 807 | 67 V 808 | 68 H 809 | 69 R 810 | 70 D 811 | 71 L 812 | 72 A 813 | 73 A 814 | 74 R 815 | 75 N 816 | 76 V 817 | 77 L 818 | 78 V 819 | 79 I 827 | 80 C 828 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 829 | 82 F 830 | 83 _ _ | 84 _ _ | 85 _ _ | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
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