PDB-code
| Kinase structure | |
| Kinase: | EPHA3 (EphA3) |
| Family: | Eph |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1823 |
| PDB: | 4GK2 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2013-01-23 |
| PubMed: | 23253074 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | L66 |
 | |
| More entries for 4GK2 | |||||
| 4GK2 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 61.3° (18.4Å) |
| G-rich loop rotation: | 79.4° |
| Quality Score: | 7.6 |
| Resolution: | 2.19 Å |
| Missing Residues: | 1 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | FP-I FP-II BP-I-A BP-I-B | Cluster I1 | Ligand No | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | KVVGAGEFGEVCSVAIKTLDFLGEASIMGQFDPNIIRLEGVMIVTEYMENGSLDSFLRKYLSDMGYVHRDLAARNILIVSDFGLS |
| Sequence structure: | KVVGAGEFGEVCSVAIKTLDFLGEASIMGQFDPNIIRLEGVMIVTEYMENGSLDSFLRKYLSDMGYVHRDLAARNILIVSDFGL_ |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL566515 |
| Bioaffinities: | 18 records for 14 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Ephrin type-A receptor 1 | 8.5 | 8.5 | 8.5 | pIC50 | 1 |
| Homo sapiens | Ephrin type-A receptor 2 | 8.6 | 8.6 | 8.6 | pIC50 | 1 |
| Homo sapiens | Ephrin type-A receptor 3 | 7.4 | 7.4 | 7.4 | pIC50 | 1 |
| Homo sapiens | Ephrin type-A receptor 4 | 8.5 | 8.5 | 8.5 | pIC50 | 1 |
| Homo sapiens | Ephrin type-A receptor 5 | 8.5 | 8.5 | 8.5 | pIC50 | 1 |
| Homo sapiens | Ephrin type-A receptor 7 | 6 | 6 | 6 | pIC50 | 1 |
| Homo sapiens | Ephrin type-A receptor 8 | 8.4 | 8.4 | 8.4 | pIC50 | 1 |
| Homo sapiens | Ephrin type-B receptor 1 | 9 | 9 | 9 | pIC50 | 1 |
| Homo sapiens | Ephrin type-B receptor 2 | 8.9 | 8.9 | 8.9 | pIC50 | 1 |
| Homo sapiens | Ephrin type-B receptor 3 | 7.8 | 7.8 | 7.8 | pIC50 | 1 |
| Homo sapiens | Ephrin type-B receptor 4 | 8.3 | 6.9 | 8.8 | pIC50 | 5 |
| Homo sapiens | Tyrosine-protein kinase ABL | 9 | 9 | 9 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase LCK | 8.9 | 8.9 | 8.9 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 8.9 | 8.9 | 8.9 | 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 625 | 2 V 626 | 3 V 627 | 4 G 628 | 5 A 629 | 6 G 630 | 7 E 631 | 8 F 632 | 9 G 633 | 10 E 634 | 11 V 635 | 12 C 636 | 13 S 637 | 14 V 650 | 15 A 651 | 16 I 652 | 17 K 653 | 18 T 654 | 19 L 655 | 20 D 666 |
| • | • | • | • | • | • | ||||||||||||||
| αC | b.l | IV | |||||||||||||||||
| 21 F 667 | 22 L 668 | 23 G 669 | 24 E 670 | 25 A 671 | 26 S 672 | 27 I 673 | 28 M 674 | 29 G 675 | 30 Q 676 | 31 F 677 | 32 D 678 | 33 P 680 | 34 N 681 | 35 I 682 | 36 I 683 | 37 R 684 | 38 L 685 | 39 E 686 | 40 G 687 |
| • | • | ||||||||||||||||||
| IV | V | GK | hinge | linker | αD | αE | |||||||||||||
| 41 V 688 | 42 M 696 | 43 I 697 | 44 V 698 | 45 T 699 | 46 E 700 | 47 Y 701 | 48 M 702 | 49 E 703 | 50 N 704 | 51 G 705 | 52 S 706 | 53 L 707 | 54 D 708 | 55 S 709 | 56 F 710 | 57 L 711 | 58 R 712 | 59 K 713 | 60 Y 736 |
| • | • | •• | ••• | • | |||||||||||||||
| αE | VI | c.l | VII | VIII | x | ||||||||||||||
| 61 L 737 | 62 S 738 | 63 D 739 | 64 M 740 | 65 G 741 | 66 Y 742 | 67 V 743 | 68 H 744 | 69 R 745 | 70 D 746 | 71 L 747 | 72 A 748 | 73 A 749 | 74 R 750 | 75 N 751 | 76 I 752 | 77 L 753 | 78 I 754 | 79 V 762 | 80 S 763 |
| • | • | • | |||||||||||||||||
| DFG | a.l | ||||||||||||||||||
| 81 D 764 | 82 F 765 | 83 G 766 | 84 L 767 | 85 _ _ | |||||||||||||||
| ••• | |||||||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
