PDB-code
| Kinase structure | |
| Kinase: | MERTK (MER) |
| Family: | Axl |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1837 |
| PDB: | 7AVY |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-03-03 |
| PubMed: | 33683117 |
| Chain: | A |
| Orthosteric ligand: | S4E |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 52.1° (16.3Å) |
| G-rich loop rotation: | 36.4° |
| Quality Score: | 9 |
| Resolution: | 2.31 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 10 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-B BP-II-in | Cluster I1 | Ligand No | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | KILGEGEFGSVMEVAVKTMEFLSEAACMKDFSPNVIRLLGVMVILPFMKYGDLHTYLLYYLSNRNFLHRDLAARNCMLVADFGLS |
| Sequence structure: | KILGEGEFGSVMEVAVKTMEFLSEAACMKDFSPNVIRLLGVMVILPFMKYGDLHTYLLYYLSNRNFLHRDLAARNCMLVADFGLS |
| 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 K 591 | 2 I 592 | 3 L 593 | 4 G 594 | 5 E 595 | 6 G 596 | 7 E 597 | 8 F 598 | 9 G 599 | 10 S 600 | 11 V 601 | 12 M 602 | 13 E 603 | 14 V 616 | 15 A 617 | 16 V 618 | 17 K 619 | 18 T 620 | 19 M 621 | 20 E 633 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 634 | 22 L 635 | 23 S 636 | 24 E 637 | 25 A 638 | 26 A 639 | 27 C 640 | 28 M 641 | 29 K 642 | 30 D 643 | 31 F 644 | 32 S 645 | 33 P 647 | 34 N 648 | 35 V 649 | 36 I 650 | 37 R 651 | 38 L 652 | 39 L 653 | 40 G 654 |
| • | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 655 | 42 M 668 | 43 V 669 | 44 I 670 | 45 L 671 | 46 P 672 | 47 F 673 | 48 M 674 | 49 K 675 | 50 Y 676 | 51 G 677 | 52 D 678 | 53 L 679 | 54 H 680 | 55 T 681 | 56 Y 682 | 57 L 683 | 58 L 684 | 59 Y 685 | 60 Y 713 |
| • | • | • | • | •• | • | ||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 714 | 62 S 715 | 63 N 716 | 64 R 717 | 65 N 718 | 66 F 719 | 67 L 720 | 68 H 721 | 69 R 722 | 70 D 723 | 71 L 724 | 72 A 725 | 73 A 726 | 74 R 727 | 75 N 728 | 76 C 729 | 77 M 730 | 78 L 731 | 79 V 739 | 80 A 740 |
| • | • | ||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 741 | 82 F 742 | 83 G 743 | 84 L 744 | 85 S 745 | |||||||||||||||
| •• | • | • | |||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
