PDB-code
| Structural information | |
| DFG conformation: | na |
| αC-helix conformation: | na |
| G-rich loop angle (distance): | - |
| G-rich loop rotation: | - |
| Quality Score: | 4 |
| Resolution: | 2.4 Å |
| Missing Residues: | 37 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | RMLGKGEFGSVREVAVKMLEFLREAACMKEFDPHVAKLVGVMVILPFMKHGDLHAFLLAYLSSRNFIHRDLAARNCMLVADFGLS |
| Sequence structure: | ____________________________KEFDPHVAKL____VILPFMKHGDLHAFLLAYLSSRNFIHRDLAARNCMLVA_____ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL2312301 |
| Bioaffinities: | 5 records for 4 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Hepatocyte growth factor receptor | 5.4 | 5.4 | 5.4 | pIC50 | 1 |
| Homo sapiens | Proto-oncogene tyrosine-protein kinase MER | 5.3 | 5.3 | 5.3 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor TYRO3 | 6.4 | 6.4 | 6.4 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase receptor UFO | 5.2 | 5.2 | 5.2 | 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 _ _ | 2 _ _ | 3 _ _ | 4 _ _ | 5 _ _ | 6 _ _ | 7 _ _ | 8 _ _ | 9 _ _ | 10 _ _ | 11 _ _ | 12 _ _ | 13 _ _ | 14 _ _ | 15 _ _ | 16 _ _ | 17 _ _ | 18 _ _ | 19 _ _ | 20 _ _ |
| αC | b.l | IV | |||||||||||||||||
| 21 _ _ | 22 _ _ | 23 _ _ | 24 _ _ | 25 _ _ | 26 _ _ | 27 _ _ | 28 _ _ | 29 K 563 | 30 E 564 | 31 F 565 | 32 D 566 | 33 P 568 | 34 H 569 | 35 V 570 | 36 A 571 | 37 K 572 | 38 L 573 | 39 _ _ | 40 _ _ |
| • | |||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 _ _ | 42 _ _ | 43 V 574 | 44 I 592 | 45 L 593 | 46 P 594 | 47 F 595 | 48 M 596 | 49 K 597 | 50 H 598 | 51 G 599 | 52 D 600 | 53 L 601 | 54 H 602 | 55 A 603 | 56 F 604 | 57 L 605 | 58 L 606 | 59 A 607 | 60 Y 635 |
| • | •• | •• | ••• | • | • | • | • | • | • | • | |||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 636 | 62 S 637 | 63 S 638 | 64 R 639 | 65 N 640 | 66 F 641 | 67 I 642 | 68 H 643 | 69 R 644 | 70 D 645 | 71 L 646 | 72 A 647 | 73 A 648 | 74 R 649 | 75 N 650 | 76 C 651 | 77 M 652 | 78 L 653 | 79 V 661 | 80 A 662 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 _ _ | 82 _ _ | 83 _ _ | 84 _ _ | 85 _ _ | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:





