Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T57278 | Target Info | |||
| Target Name | Ephrin type-A receptor 2 (EPHA2) | ||||
| Synonyms | Tyrosine-protein kinase receptor ECK; Epithelial cell kinase; EphA2receptor; ECK | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | EPHA2 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | L-betagamma-meATP | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)O)N | ||||
| InChI | 1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-31(24,25)28-30(22,23)4-29(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | ||||
| InChIKey | UFZTZBNSLXELAL-IOSLPCCCSA-N | ||||
| PubChem Compound ID | 91532 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7KJA Crystal structure of the EphA2 intracellular KD-SAM domains | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [1] |
| PDB Sequence |
GPGDPHTYED
596 PNQAVLKFTT606 EIHPSCVTRQ616 KVIGAGEFGE626 VYKGMLKTSS636 GKKEVPVAIK 646 TLKAGYTEKQ656 RVDFLGEAGI666 MGQFSHHNII676 RLEGVISKYK686 PMMIITEYME 696 NGALDKFLRE706 KDGEFSVLQL716 VGMLRGIAAG726 MKYLANMNYV736 HRDLAARNIL 746 VNSNLVCKVS756 DFGPIRWTAP786 EAISYRKFTS796 ASDVWSFGIV806 MWEVMTYGER 816 PYWELSNHEV826 MKAINDGFRL836 PTPMDCPSAI846 YQLMMQCWQQ856 ERARRPKFAD 866 IVSILDKLIR876 APDSLKTLAD886 FDPRVSIRLP896 STPFRTVSEW912 LESIKMQQYT 922 EHFMAAGYTA932 IEKVVQMTND942 DIKRIGVRLP952 GHQKRIAYSL962 LGLKDQVNTV 972 GIPI
|
|||||
|
|
ILE619
2.809
GLY620
2.863
ALA621
2.996
GLY622
2.855
GLU623
1.818
PHE624
3.257
GLY625
4.933
VAL627
2.929
ALA644
2.054
LYS646
1.983
ILE676
2.334
THR692
1.875
|
|||||
| PDB ID: 7KJC Crystal structure of the EphA2 S901E mutant intracellular KD-SAM domains | ||||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPGDPHTYED
596 PNQAVLKFTT606 EIHPSCVTRQ616 KVIGAGEFGE626 VYKGMLKTSK639 EVPVAIKTLK 649 AGYTEKQRVD659 FLGEAGIMGQ669 FSHHNIIRLE679 GVISKYKPMM689 IITEYMENGA 699 LDKFLREKDG709 EFSVLQLVGM719 LRGIAAGMKY729 LANMNYVHRD739 LAARNILVNS 749 NLVCKVSDFG759 LSRVLEDDPE769 ATYKIPIRWT784 APEAISYRKF794 TSASDVWSFG 804 IVMWEVMTYG814 ERPYWELSNH824 EVMKAINDGF834 RLPTPMDCPS844 AIYQLMMQCW 854 QQERARRPKF864 ADIVSILDKL874 IRAPDSLKTL884 ADFDPRVSIR894 LPSTPFRTVS 910 EWLESIKMQQ920 YTEHFMAAGY930 TAIEKVVQMT940 NDDIKRIGVR950 LPGHQKRIAY 960 SLLGLKDQVN970 TVGIPI
|
|||||
|
|
ILE619
2.726
GLY620
3.024
ALA621
2.933
GLY622
2.583
GLU623
2.223
PHE624
3.294
VAL627
2.864
ALA644
2.116
LYS646
2.187
GLU663
4.976
ILE676
2.524
THR692
2.166
GLU693
2.806
TYR694
3.154
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Regulation of the EphA2 receptor intracellular region by phosphomimetic negative charges in the kinase-SAM linker. Nat Commun. 2021 Dec 2;12(1):7047. | ||||
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