PDB-code
| Kinase structure | |
| Kinase: | EPHA2 (EphA2) |
| Family: | Eph |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1822 |
| PDB: | 7KJC |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2021-02-03 |
| PubMed: | 34857764 |
| Chain: | B |
| (Alternate) Model: | B |
| Orthosteric ligand: | ACP |
 | |
| More entries for 7KJC | |||||
| 7KJC | Alternative model: | A | Chain: | A | |
| 7KJC | Alternative model: | A | Chain: | B | |
| 7KJC | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 63.1° (18.8Å) |
| G-rich loop rotation: | 78.4° |
| Quality Score: | 7.2 |
| Resolution: | 2.3 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front | FP-II | Cluster I1 I7 | Ligand Yes Yes | Protein Yes No |
| Pocket alignment | |
| Uniprot sequence: | KVIGAGEFGEVYKVAIKTLDFLGEAGIMGQFSHNIIRLEGVMIITEYMENGALDKFLREYLANMNYVHRDLAARNILVVSDFGLS |
| Sequence structure: | KVIGAGEFGEVYKVAIKTLDFLGEAGIMGQFSHNIIRLEGVMIITEYMENGALDKFLREYLANMNYVHRDLAARNILVVSDFG__ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL133463 |
| 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 617 | 2 V 618 | 3 I 619 | 4 G 620 | 5 A 621 | 6 G 622 | 7 E 623 | 8 F 624 | 9 G 625 | 10 E 626 | 11 V 627 | 12 Y 628 | 13 K 629 | 14 V 643 | 15 A 644 | 16 I 645 | 17 K 646 | 18 T 647 | 19 L 648 | 20 D 659 |
| • | • | • | •• | • | • | •• | |||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 660 | 22 L 661 | 23 G 662 | 24 E 663 | 25 A 664 | 26 G 665 | 27 I 666 | 28 M 667 | 29 G 668 | 30 Q 669 | 31 F 670 | 32 S 671 | 33 H 673 | 34 N 674 | 35 I 675 | 36 I 676 | 37 R 677 | 38 L 678 | 39 E 679 | 40 G 680 |
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 681 | 42 M 689 | 43 I 690 | 44 I 691 | 45 T 692 | 46 E 693 | 47 Y 694 | 48 M 695 | 49 E 696 | 50 N 697 | 51 G 698 | 52 A 699 | 53 L 700 | 54 D 701 | 55 K 702 | 56 F 703 | 57 L 704 | 58 R 705 | 59 E 706 | 60 Y 729 |
| • | • | •• | |||||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 730 | 62 A 731 | 63 N 732 | 64 M 733 | 65 N 734 | 66 Y 735 | 67 V 736 | 68 H 737 | 69 R 738 | 70 D 739 | 71 L 740 | 72 A 741 | 73 A 742 | 74 R 743 | 75 N 744 | 76 I 745 | 77 L 746 | 78 V 747 | 79 V 755 | 80 S 756 |
| • | |||||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 757 | 82 F 758 | 83 G 759 | 84 _ _ | 85 _ _ | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
