Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T28413 | Target Info | |||
| Target Name | Ephrin type-A receptor 3 (EPHA3) | ||||
| Synonyms | hEK4; Tyrosineprotein kinase receptor ETK1; Tyrosineprotein kinase TYRO4; Tyrosine-protein kinase receptor ETK1; Tyrosine-protein kinase TYRO4; TYRO4; Human embryo kinase; HEK; Ephrin typeA receptor 3; Ephlike tyrosine kinase 1; Eph-like tyrosine kinase 1; ETK1; ETK protein; EPHlike kinase 4; EPH-like kinase 4; EK4 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | EPHA3 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | AMP-PNP | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N | ||||
| InChI | 1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | PVKSNHVPLWYQGJ-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 33113 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2QO9 Human EphA3 kinase and juxtamembrane region, phosphorylated, AMP-PNP bound | ||||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | No | [1] |
| PDB Sequence |
TVHEFAKELD
617 ATNISIDKVV627 GAGEFGEVCS637 GRLKLPSKKE647 ISVAIKTLKV657 GYTEKQRRDF 667 LGEASIMGQF677 DHPNIIRLEG687 VVTKSKPVMI697 VTEYMENGSL707 DSFLRKHDAQ 717 FTVIQLVGML727 RGIASGMKYL737 SDMGYVHRDL747 AARNILINSN757 LVCKVSDFGL 767 SRVLKIPIRW790 TSPEAIAYRK800 FTSASDVWSY810 GIVLWEVMSY820 GERPYWEMSN 830 QDVIKAVDEG840 YRLPPPMDCP850 AALYQLMLDC860 WQKDRNNRPK870 FEQIVSILDK 880 LIRNPGSLKI890 ITNLLLD
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| PDB ID: 2QO7 Human EphA3 kinase and juxtamembrane region, dephosphorylated, AMP-PNP bound | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [1] |
| PDB Sequence |
TYVDPHTVHE
611 FAKELDATNI621 SIDKVVGAGE631 FGEVCSGRLK641 LPSKKEISVA651 IKTLKVGYTE 661 KQRRDFLGEA671 SIMGQFDHPN681 IIRLEGVVTK691 SKPVMIVTEM702 ENGSLDSFLR 712 KHDAQFTVIQ722 LVGMLRGIAS732 GMKYLSDMGY742 VHRDLAARNI752 LINSNLVCKV 762 SDFGPIRWTS792 PEAIAYRKFT802 SASDVWSYGI812 VLWEVMSYGE822 RPYWEMSNQD 832 VIKAVDEGYR842 LPPPMDCPAA852 LYQLMLDCWQ862 KDRNNRPKFE872 QIVSILDKLI 882 RNPGSLKIIT892 SPSNLLLD
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| PDB ID: 2QOQ Human EphA3 kinase and juxtamembrane region, base, AMP-PNP bound structure | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [1] |
| PDB Sequence |
TYVDPHEDPT
606 QTVHEFAKEL616 DATNISIDKV626 VGAGEFGEVC636 SGRLKLPSKK646 EISVAIKTLK 656 VGYTEKQRRD666 FLGEASIMGQ676 FDHPNIIRLE686 GVVTKSKPVM696 IVTEMENGSL 707 DSFLRKHDAQ717 FTVIQLVGML727 RGIASGMKYL737 SDMGYVHRDL747 AARNILINSN 757 LVCKVSDFGK785 IPIRWTSPEA795 IAYRKFTSAS805 DVWSYGIVLW815 EVMSYGERPY 825 WEMSNQDVIK835 AVDEGYRLPP845 PMDCPAALYQ855 LMLDCWQKDR865 NNRPKFEQIV 875 SILDKLIRNP885 GSLKIITNLL902 LDQS
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VAL627
3.967
GLY628
3.857
ALA629
3.234
GLY630
3.590
GLU631
3.693
VAL635
3.917
ALA651
3.313
LYS653
4.548
ILE683
4.715
THR699
3.479
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| PDB ID: 3FXX Human EphA3 Kinase and Juxtamembrane Region Bound to Substrate KQWDNYE[pTyr]IW | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
TQTVHEFAKE
615 LDATNISIDK625 VVGAGEFGEV635 CSGRLKLPSK645 KEISVAIKTL655 KVGYTEKQRR 665 DFLGEASIMG675 QFDHPNIIRL685 EGVVTKSKPV695 MIVTEYMENG705 SLDSFLRKHD 715 AQFTVIQLVG725 MLRGIASGMK735 YLSDMGYVHR745 DLAARNILIN755 SNLVCKVSDF 765 GLSRVLEDDG784 KIPIRWTSPE794 AIAYRKFTSA804 SDVWSYGIVL814 WEVMSYGERP 824 YWEMSNQDVI834 KAVDEGYRLP844 PPMDCPAALY854 QLMLDCWQKD864 RNNRPKFEQI 874 VSILDKLIRN884 PGSLKIITAA896 RPSNLLLD
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:627 or .A:628 or .A:629 or .A:630 or .A:631 or .A:635 or .A:651 or .A:653 or .A:683 or .A:699 or .A:700 or .A:701 or .A:702 or .A:703 or .A:705 or .A:706 or .A:750 or .A:753 or .A:763 or .A:764; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL627
3.836
GLY628
3.893
ALA629
2.800
GLY630
3.304
GLU631
3.549
VAL635
3.813
ALA651
3.357
LYS653
4.808
ILE683
4.747
THR699
3.524
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| PDB ID: 2QOC Human EphA3 kinase domain, phosphorylated, AMP-PNP bound structure | ||||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | No | [1] |
| PDB Sequence |
AKELDATNIS
622 IDKVVGAGEF632 GEVCSGRLKL642 PSKKEISVAI652 KTLKVGYTEK662 QRRDFLGEAS 672 IMGQFDHPNI682 IRLEGVVTKS692 KPVMIVTEYM702 ENGSLDSFLR712 KHDAQFTVIQ 722 LVGMLRGIAS732 GMKYLSDMGY742 VHRDLAARNI752 LINSNLVCKV762 SDFGLSRVLE 772 DKIPIRWTSP793 EAIAYRKFTS803 ASDVWSYGIV813 LWEVMSYGER823 PYWEMSNQDV 833 IKAVDEGYRL843 PPPMDCPAAL853 YQLMLDCWQK863 DRNNRPKFEQ873 IVSILDKLIR 883 NPGSLKIITS893 AAARPSNLLL903 DQS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:627 or .A:628 or .A:629 or .A:630 or .A:635 or .A:651 or .A:653 or .A:683 or .A:699 or .A:700 or .A:701 or .A:702 or .A:703 or .A:705 or .A:706 or .A:708 or .A:750 or .A:751 or .A:753 or .A:764; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL627
4.442
GLY628
3.902
ALA629
3.507
GLY630
4.269
VAL635
3.786
ALA651
3.311
LYS653
4.723
ILE683
4.788
THR699
3.489
GLU700
2.879
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Autoregulation by the juxtamembrane region of the human ephrin receptor tyrosine kinase A3 (EphA3). Structure. 2008 Jun;16(6):873-84. | ||||
| REF 2 | Structural recognition of an optimized substrate for the ephrin family of receptor tyrosine kinases. FEBS J. 2009 Aug;276(16):4395-404. | ||||
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