PDB-code
| Kinase structure | |
| Kinase: | KSR1 |
| Family: | RAF |
| Group: | TKL |
| Species: | HUMAN |
| PDB: | 7JUX |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2020-09-30 |
| PubMed: | 32927473 |
| Chain: | A |
| Orthosteric ligand: | ANP |
 | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | out |
| G-rich loop angle (distance): | 55.2° (16.2Å) |
| G-rich loop rotation: | 40.8° |
| Quality Score: | 8 |
| Resolution: | 3.34 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | |||
| front | ||||
| Pocket alignment | |
| Uniprot sequence: | EPIGQGRWGRVHRVAIRLLLFKKEVMNYRQTRENVVLFMGAAIITSFCKGRTLHSFVRDYLHAKGIVHKDLKSKNVFYITDFGLF |
| Sequence structure: | EPIGQGRWGRVHRVAIRLLLFKKEVMNYRQTRENVVLFMGAAIITSFCKGRTLHSFVRDYLHAKGIVHKDLKSKNVFYITDFGLF |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL1230989 |
| 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 E 617 | 2 P 618 | 3 I 619 | 4 G 620 | 5 Q 621 | 6 G 622 | 7 R 623 | 8 W 624 | 9 G 625 | 10 R 626 | 11 V 627 | 12 H 628 | 13 R 629 | 14 V 636 | 15 A 637 | 16 I 638 | 17 R 639 | 18 L 640 | 19 L 641 | 20 L 653 |
| • | • | • | • | • | |||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 654 | 22 K 655 | 23 K 656 | 24 E 657 | 25 V 658 | 26 M 659 | 27 N 660 | 28 Y 661 | 29 R 662 | 30 Q 663 | 31 T 664 | 32 R 665 | 33 E 667 | 34 N 668 | 35 V 669 | 36 V 670 | 37 L 671 | 38 F 672 | 39 M 673 | 40 G 674 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 A 675 | 42 A 683 | 43 I 684 | 44 I 685 | 45 T 686 | 46 S 687 | 47 F 688 | 48 C 689 | 49 K 690 | 50 G 691 | 51 R 692 | 52 T 693 | 53 L 694 | 54 H 695 | 55 S 696 | 56 F 697 | 57 V 698 | 58 R 699 | 59 D 700 | 60 Y 723 |
| • | •• | • | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 724 | 62 H 725 | 63 A 726 | 64 K 727 | 65 G 728 | 66 I 729 | 67 V 730 | 68 H 731 | 69 K 732 | 70 D 733 | 71 L 734 | 72 K 735 | 73 S 736 | 74 K 737 | 75 N 738 | 76 V 739 | 77 F 740 | 78 Y 741 | 79 I 748 | 80 T 749 |
| • | •• | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 750 | 82 F 751 | 83 G 752 | 84 L 753 | 85 F 754 | |||||||||||||||
| • | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
