PDB-code
| Kinase structure | |
| Kinase: | EPHA2 (EphA2) |
| Family: | Eph |
| Group: | TK |
| Species: | HUMAN |
| IUPHAR/BPS ID: | 1822 |
| PDB: | 5IA3 |
| sc-PDB: | |
| KIDFamMap: | Search |
| Release date: | 2016-11-09 |
| PubMed: | 27768280 |
| Chain: | A |
| (Alternate) Model: | A |
| Orthosteric ligand: | P17 |
 | |
| More entries for 5IA3 | |||||
| 5IA3 | Alternative model: | B | Chain: | A | |
| Structural information | |
| DFG conformation: | in |
| αC-helix conformation: | in |
| G-rich loop angle (distance): | 68° (21.2Å) |
| G-rich loop rotation: | 46° |
| Quality Score: | 8 |
| Resolution: | 1.79 Å |
| Missing Residues: | 0 |
| Missing Atoms: | 0 |
| Ligand binding mode | ||||
| Pockets | Subpockets | Waters | ||
| front gate | BP-I-A BP-I-B | Cluster I10 | Ligand Yes | Protein Yes |
| Pocket alignment | |
| Uniprot sequence: | KVIGAGEFGEVYKVAIKTLDFLGEAGIMGQFSHNIIRLEGVMIITEYMENGALDKFLREYLANMNYVHRDLAARNILVVSDFGLS |
| Sequence structure: | KVIGAGEFGEVYKVAIKTLDFLGEAGIMGQFSHNIIRLEGVMIITEYMENGALDKFLREYLANMNYVHRDLAARNILVVSDFGLS |
| Ligand affinity | |
| ChEMBL ID: | CHEMBL386051 |
| Bioaffinities: | 201 records for 150 kinases |
| Species | Kinase (ChEMBL naming) | Median | Min | Max | Type | Records |
|---|---|---|---|---|---|---|
| Homo sapiens | Activin receptor type-1 | 6.8 | 6.8 | 6.8 | pKd | 1 |
| Homo sapiens | Activin receptor type-1B | 7 | 7 | 7 | pKd | 1 |
| Homo sapiens | Activin receptor type-2A | 8 | 8 | 8 | pKd | 1 |
| Homo sapiens | Activin receptor type-2B | 8 | 8 | 8 | pKd | 1 |
| Homo sapiens | Bone morphogenetic protein receptor type-1A | 6.8 | 6.8 | 6.8 | pKd | 1 |
| Homo sapiens | Bone morphogenetic protein receptor type-1B | 8.4 | 8.4 | 8.4 | pKd | 1 |
| Homo sapiens | BR serine/threonine-protein kinase 1 | 5.5 | 5.5 | 5.5 | pKd | 1 |
| Homo sapiens | BR serine/threonine-protein kinase 2 | 5.1 | 5.1 | 5.1 | pKd | 1 |
| Plasmodium falciparum (isolate 3D7) | Calcium-dependent protein kinase 1 | 5.5 | 5.5 | 5.5 | pKd | 1 |
| Homo sapiens | Chaperone activity of bc1 complex-like, mitochondrial | 6 | 6 | 6 | pKd | 1 |
| Homo sapiens | c-Jun N-terminal kinase 1 | 5.8 | 5.8 | 5.8 | pKd | 1 |
| Homo sapiens | Discoidin domain-containing receptor 2 | 7.9 | 7.9 | 7.9 | pKd | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 1 | 6.1 | 6.1 | 6.1 | pKd | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 2 | 5.7 | 5.7 | 5.7 | pKd | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 3 | 5.3 | 5.3 | 5.3 | pKd | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 4 | 6.5 | 6.5 | 6.5 | pKd | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 5 | 7.2 | 7.2 | 7.2 | pKd | 1 |
| Homo sapiens | Dual specificity mitogen-activated protein kinase kinase 6 | 5.4 | 5.4 | 5.4 | pKd | 1 |
| Homo sapiens | Dual specificity testis-specific protein kinase 1 | 7.1 | 7.1 | 7.1 | pKd | 1 |
| Homo sapiens | Ephrin type-A receptor 1 | 8.2 | 8.2 | 8.2 | pKd | 1 |
| Homo sapiens | Ephrin type-A receptor 2 | 8.4 | 8.4 | 8.4 | pKd | 1 |
| Homo sapiens | Ephrin type-A receptor 3 | 8.1 | 8.1 | 8.1 | pKd | 1 |
| Homo sapiens | Ephrin type-A receptor 4 | 8.1 | 8.1 | 8.1 | pKd | 1 |
| Homo sapiens | Ephrin type-A receptor 5 | 7.9 | 7.9 | 7.9 | pKd | 1 |
| Homo sapiens | Ephrin type-A receptor 6 | 7.2 | 7.2 | 7.2 | pKd | 1 |
| Homo sapiens | Ephrin type-A receptor 8 | 8.2 | 8.2 | 8.2 | pKd | 1 |
| Homo sapiens | Ephrin type-B receptor 1 | 8.4 | 8.4 | 8.4 | pKd | 1 |
| Homo sapiens | Ephrin type-B receptor 2 | 7.7 | 7.7 | 7.7 | pKd | 1 |
| Homo sapiens | Ephrin type-B receptor 3 | 6.5 | 6.5 | 6.5 | pKd | 1 |
| Homo sapiens | Ephrin type-B receptor 4 | 7.9 | 7.9 | 7.9 | pKd | 1 |
| Homo sapiens | Epidermal growth factor receptor erbB1 | 6 | 5.6 | 6.8 | pKd | 10 |
| Homo sapiens | Epithelial discoidin domain-containing receptor 1 | 8.6 | 8.6 | 8.6 | pKd | 1 |
| Homo sapiens | Eukaryotic translation initiation factor 2-alpha kinase 4 | 7.6 | 7.6 | 7.6 | pKd | 1 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 5.9 | 5.9 | 5.9 | pIC50 | 1 |
| Homo sapiens | Fibroblast growth factor receptor 1 | 7.2 | 7.2 | 7.2 | pKd | 1 |
| Homo sapiens | Fibroblast growth factor receptor 2 | 7.5 | 7.5 | 7.5 | pKd | 1 |
| Homo sapiens | Fibroblast growth factor receptor 3 | 7.3 | 7.3 | 7.3 | pKd | 2 |
| Homo sapiens | Fibroblast growth factor receptor 4 | 6.3 | 6.3 | 6.3 | pKd | 1 |
| Homo sapiens | Hepatocyte growth factor receptor | 6 | 6 | 6.1 | pKd | 4 |
| Homo sapiens | Leucine-rich repeat serine/threonine-protein kinase 2 | 5.1 | 5.1 | 5.3 | pKd | 2 |
| Homo sapiens | LIM domain kinase 1 | 6 | 6 | 6 | pKd | 1 |
| Homo sapiens | LIM domain kinase 2 | 6.5 | 6.5 | 6.5 | pKd | 1 |
| Homo sapiens | Macrophage colony stimulating factor receptor | 9.2 | 9.2 | 9.2 | pKd | 1 |
| Homo sapiens | Macrophage-stimulating protein receptor | 5.6 | 5.6 | 5.6 | pKd | 1 |
| Homo sapiens | MAP kinase p38 alpha | 7.2 | 7.2 | 7.2 | pKd | 1 |
| Homo sapiens | MAP kinase p38 beta | 7 | 7 | 7 | pKd | 1 |
| Homo sapiens | MAP/microtubule affinity-regulating kinase 2 | 5 | 5 | 5 | pKd | 1 |
| Homo sapiens | Misshapen-like kinase 1 | 6.2 | 6.2 | 6.2 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase 4 | 6 | 6 | 6 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase 6 | 6.8 | 6.8 | 6.8 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 10 | 5.3 | 5.3 | 5.3 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 11 | 6.3 | 6.3 | 6.3 | pKd | 2 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 2 | 6.2 | 6.2 | 6.2 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 3 | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 4 | 7.3 | 7.3 | 7.3 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase 9 | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 1 | 6.7 | 6.7 | 6.7 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 2 | 5.9 | 5.9 | 5.9 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 3 | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 4 | 6.1 | 6.1 | 6.1 | pKd | 1 |
| Homo sapiens | Mitogen-activated protein kinase kinase kinase kinase 5 | 6.6 | 6.6 | 6.6 | pKd | 1 |
| Homo sapiens | Mixed lineage kinase 7 | 6.5 | 6.5 | 6.5 | pKd | 1 |
| Homo sapiens | Myosin light chain kinase | 6.9 | 6.9 | 6.9 | pKd | 1 |
| Homo sapiens | myosin light chain kinase 2 | 6.7 | 6.7 | 6.7 | pKd | 1 |
| Homo sapiens | Non-receptor tyrosine-protein kinase TNK1 | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | NT-3 growth factor receptor | 5.2 | 5.2 | 5.2 | pKd | 1 |
| Homo sapiens | Platelet-derived growth factor receptor alpha | 8.3 | 8.3 | 8.3 | pKd | 1 |
| Homo sapiens | Platelet-derived growth factor receptor beta | 8.9 | 8.9 | 8.9 | pKd | 1 |
| Homo sapiens | Protein tyrosine kinase 2 beta | 5.3 | 5.3 | 5.3 | pKd | 1 |
| Homo sapiens | Putative uncharacterized serine/threonine-protein kinase SgK110 | 6 | 6 | 6 | pKd | 1 |
| Homo sapiens | Receptor-interacting serine/threonine-protein kinase 1 | 5.5 | 5.5 | 5.5 | pKd | 1 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-4 | 6 | 6 | 6 | pKd | 1 |
| Homo sapiens | Receptor tyrosine-protein kinase erbB-3 | 6.9 | 6.9 | 6.9 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase 10 | 5.8 | 5.8 | 5.8 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase 2 | 5.4 | 5.4 | 5.4 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase 24 | 5.6 | 5.6 | 5.6 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase 25 | 5.6 | 5.6 | 5.6 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase 32A | 5.6 | 5.6 | 5.6 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase 32B | 5.9 | 5.9 | 5.9 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase 35 | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase 36 | 6.5 | 6.5 | 6.5 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase Aurora-C | 5.3 | 5.3 | 5.3 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase B-raf | 8.2 | 8.2 | 8.4 | pKd | 2 |
| Homo sapiens | Serine/threonine-protein kinase c-TAK1 | 6.1 | 6.1 | 6.1 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase GAK | 8.1 | 8.1 | 8.1 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase MRCK-A | 5.9 | 5.9 | 5.9 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase MRCK beta | 6 | 6 | 6 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase MRCK gamma | 6.6 | 6.6 | 6.6 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase MST1 | 5.4 | 5.4 | 5.4 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase MST2 | 5.8 | 5.8 | 5.8 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase MST4 | 5.4 | 5.4 | 5.4 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase Nek1 | 5.1 | 5.1 | 5.1 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase Nek11 | 5.5 | 5.5 | 5.5 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase NEK2 | 7 | 7 | 7 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase Nek5 | 6.1 | 6.1 | 6.1 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase NIM1 | 5.2 | 5.2 | 5.2 | pKd | 1 |
| Homo sapiens | Serine/threonine protein kinase NLK | 7.5 | 7.5 | 7.5 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase PLK3 | 5.7 | 5.7 | 5.7 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase RAF | 7.6 | 7.6 | 7.6 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase receptor R3 | 7.2 | 7.2 | 7.2 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase RIPK2 | 7.8 | 7.8 | 7.8 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase SIK1 | 8.2 | 8.2 | 8.2 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase SIK2 | 7.6 | 7.6 | 7.6 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase SIK3 | 7 | 7 | 7 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase TAO1 | 6.1 | 6.1 | 6.1 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase TAO2 | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase TAO3 | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase TNNI3K | 7.3 | 7.3 | 7.3 | pKd | 1 |
| Homo sapiens | Serine/threonine-protein kinase WEE1 | 7.2 | 7.2 | 7.2 | pKd | 1 |
| Homo sapiens | SPS1/STE20-related protein kinase YSK4 | 6.6 | 6.6 | 6.6 | pKd | 1 |
| Homo sapiens | Stem cell growth factor receptor | 7.5 | 6.3 | 8.8 | pKd | 7 |
| Homo sapiens | TGF-beta receptor type I | 5.8 | 5.8 | 5.8 | pKd | 1 |
| Homo sapiens | TGF-beta receptor type II | 6.6 | 6.6 | 6.6 | pKd | 1 |
| Homo sapiens | TRAF2- and NCK-interacting kinase | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Tyrosine- and threonine-specific cdc2-inhibitory kinase | 7.4 | 7.4 | 7.4 | pKd | 1 |
| Homo sapiens | Tyrosine kinase non-receptor protein 2 | 7.6 | 7.6 | 7.6 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL | 8.9 | 5.7 | 9.3 | pKd | 15 |
| Homo sapiens | Tyrosine-protein kinase ABL | 9.7 | 9.7 | 9.7 | pKi | 1 |
| Homo sapiens | Tyrosine-protein kinase ABL2 | 9.2 | 9.2 | 9.2 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase BLK | 8.8 | 8.8 | 8.8 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase BMX | 7.5 | 7.5 | 7.5 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase BRK | 7.3 | 7.3 | 7.3 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase BTK | 6.7 | 6.7 | 6.7 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase CSK | 7.2 | 7.2 | 7.2 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase FER | 5.5 | 5.5 | 5.5 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase FES | 6.2 | 6.2 | 6.2 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase FGR | 8.6 | 8.6 | 8.6 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase FRK | 8.4 | 8.4 | 8.4 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase FYN | 8.3 | 8.3 | 8.3 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase HCK | 8.5 | 8.5 | 8.5 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase JAK1 | 6.5 | 6.5 | 6.5 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase JAK2 | 7 | 7 | 7 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase JAK3 | 6.3 | 6.3 | 6.3 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase LCK | 9 | 9 | 9 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase Lyn | 8.7 | 8.7 | 8.7 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor FLT3 | 6.1 | 5.5 | 6.9 | pKd | 7 |
| Homo sapiens | Tyrosine-protein kinase receptor RET | 7.2 | 5.2 | 7.3 | pKd | 3 |
| Homo sapiens | Tyrosine-protein kinase receptor Tie-1 | 5.9 | 5.9 | 5.9 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase receptor TYRO3 | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 7.6 | 7.6 | 7.6 | pIC50 | 1 |
| Homo sapiens | Tyrosine-protein kinase SRC | 9.2 | 9.2 | 9.2 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase Srms | 6.2 | 6.2 | 6.2 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase SYK | 6.4 | 6.4 | 6.4 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase TEC | 6.2 | 6.2 | 6.2 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase TIE-2 | 6.6 | 6.6 | 6.6 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase TXK | 7.5 | 7.5 | 7.5 | pKd | 1 |
| Homo sapiens | Tyrosine-protein kinase TYK2 | 6.4 | 6.4 | 6.4 | pKd | 2 |
| Homo sapiens | Tyrosine-protein kinase YES | 8.6 | 8.6 | 8.6 | pKd | 1 |
| Homo sapiens | Uncharacterized aarF domain-containing protein kinase 4 | 7.6 | 7.6 | 7.6 | pKd | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 1 | 7.6 | 7.6 | 7.6 | pKd | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 2 | 6.2 | 6.2 | 6.2 | pKd | 1 |
| Homo sapiens | Vascular endothelial growth factor receptor 3 | 6.1 | 6.1 | 6.1 | pKd | 1 |
| Homo sapiens | Wee1-like protein kinase 2 | 7.2 | 7.2 | 7.2 | pKd | 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 L 760 | 85 S 761 | |||||||||||||||
Interaction pattern search
Search KLIFS for kinase-ligand complexes with similar interaction patterns:
