PDB-code
| Kinase structure | |
| Kinase: | EPHA2 (EphA2) |
| Family: | Eph |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1822 |
| PDB: | 8XPV |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2024-01-24 |
| Chain: | A |
| (Alternate) Model: | B |
| Orthosteric ligand: | 4Z5 |
 | |
| More entries for 8XPV | |||||
| 8XPV | Alternative model: | A | Chain: | A | |
| Structural information | |
| DFG conformation: | out |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 67.3° (20.4Å) |
| G-rich loop rotation: | 85.3° |
| Quality Score: | 6.4 |
| Resolution: | 1.55 Å |
| Missing Residues: | 2 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate back | BP-I-A BP-I-B BP-II-out | Cluster I1 I10 O1 | Ligand No No No | Protein Yes No Yes |
| Pocket alignment | |
| Uniprot sequence: | KVIGAGEFGEVYKVAIKTLDFLGEAGIMGQFSHNIIRLEGVMIITEYMENGALDKFLREYLANMNYVHRDLAARNILVVSDFGLS |
| Sequence structure: | KVIGAGEFGEVYKVAIKTLDFLGEAGIMGQFSHNIIRLEGVMIITEYMENGALDKFLREYLANMNYVHRDLAARNILVVSDFG__ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL3577124 |
| Bioaffinities: | 21 records for 16 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 5 | 6.1 | 6.1 | 6.1 | pIC50 | 1 |
| Homo sapiens | Ephrin type-A receptor 2 | 7.7 | 7.7 | 7.7 | pIC50 | 1 |
| Homo sapiens | Ephrin type-B receptor 4 | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Eukaryotic translation initiation factor 2-alpha kinase 4 | 6.4 | 6.4 | 6.4 | pIC50 | 1 |
| Homo sapiens | Interleukin-1 receptor-associated kinase 1 | 6.4 | 6.4 | 6.4 | pIC50 | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 1 | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 5 | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Mixed lineage kinase 7 | 7.4 | 7.4 | 7.4 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase A-Raf | 7.4 | 7.4 | 7.4 | pIC50 | 1 |
| Homo sapiens | Serine/threonine-protein kinase B-raf | 7.5 | 5.2 | 8.2 | pIC50 | 5 |
| Homo sapiens | Serine/threonine-protein kinase RAF | 7.4 | 7.4 | 8.4 | pIC50 | 2 |
| Homo sapiens | Tyrosine-protein kinase ABL | 6.4 | 6.4 | 6.4 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase CSK | 6.5 | 6.5 | 6.5 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase FYN | 7 | 7 | 7 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 6.5 | 6.5 | 6.5 | pIC50 | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 5.4 | 5.4 | 5.4 | 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 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
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