Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02446 | Target Info | |||
| Target Name | Ephrin type-B receptor 1 (EPHB1) | ||||
| Synonyms | hEK6; Tyrosine-protein kinase receptor EPH-2; Neuronally-expressed EPH-related tyrosine kinase; EPHT2; EPH-like kinase 6; EPH tyrosine kinase 2; ELK; EK6 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | EPHB1 | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphonotyrosine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1CC(C(=O)O)N)OP(=O)(O)O | ||||
| InChI | 1S/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)/t8-/m0/s1 | ||||
| InChIKey | DCWXELXMIBXGTH-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 30819 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5MJA Kinase domain of human EphB1 bound to a quinazoline-based inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [1] |
| PDB Sequence |
EFAKEIDVSF
618 VKIEEVIGAG628 EFGEVYKGRL638 KLPGKREIVA649 IKTLKAGYSE659 KQRRDFLSEA 669 SIMGQFDHRN679 IIRLEGVVTK689 SRPVMIITEF699 MENGALDSFL709 RQNDGQFTVI 719 QLVGMLRGIA729 AGMKYLSEMN739 YVHRDLAARN749 ILVNSNLVCK759 VSDFGLSRYL 769 PTTSSPVRWT791 APEAIAYRKF801 TSASDVWSYG811 IVMWEVMSFG821 ERPYWDMSNQ 831 DVINAIEQDY841 RLPPPMDCPA851 ALHQLMLDCW861 QKDRNSRPRF871 AEIVNTLDKM 881 IRNPASLKTV891 A
|
|||||
|
|
GLU622
4.408
LYS635
3.535
GLY636
3.384
ARG637
3.029
GLU645
4.571
ILE646
1.331
VAL648
1.329
ALA649
4.718
THR697
4.917
GLU698
4.774
PHE699
3.657
VAL741
4.003
|
|||||
| PDB ID: 5MJB Kinase domain of human EphB1, G703C mutant, covalently bound to a quinazoline-based inhibitor | ||||||
| Method | X-ray diffraction | Resolution | 2.23 Å | Mutation | No | [1] |
| PDB Sequence |
REFAKEIDVS
617 FVKIEEVIGA627 GEFGEVYKGR637 LKLPGKREIV648 AIKTLKAGYS658 EKQRRDFLSE 668 ASIMGQFDHR678 NIIRLEGVVT688 KSRPVMIITE698 FMENCALDSF708 LRQNDGQFTV 718 IQLVGMLRGI728 AAGMKYLSEM738 NYVHRDLAAR748 NILVNSNLVC758 KVSDFGLSRY 768 LPTTSSLGGK785 IPVRWTAPEA795 IAYRKFTSAS805 DVWSYGIVMW815 EVMSFGERPY 825 WDMSNQDVIN835 AIEQDYRLPP845 PMDCPAALHQ855 LMLDCWQKDR865 NSRPRFAEIV 875 NTLDKMIRNP885 ASLKTV
|
|||||
|
|
GLU622
4.288
LYS635
3.596
GLY636
3.407
ARG637
3.182
GLU645
4.587
ILE646
1.331
VAL648
1.320
ALA649
4.675
THR697
4.743
GLU698
4.588
PHE699
3.523
VAL741
4.128
|
|||||
| PDB ID: 6UMW Crystal structure of hEphB1 bound with chlortetracycline | ||||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [2] |
| PDB Sequence |
AKEIDVSFVK
620 IEEVIGAGEF630 GEVYKGRLKL640 PGKREIVAIK651 TLKAGYSEKQ661 RRDFLSEASI 671 MGQFDHPNII681 RLEGVVTKSR691 PVMIITEFME701 NGALDSFLRQ711 NDGQFTVIQL 721 VGMLRGIAAG731 MKYLAEMNYV741 HRDLAARNIL751 VNSNLVCKVS761 DFIPVRWTAP 793 EAIAYRKFTS803 ASDVWSYGIV813 MWEVMSFGER823 PYWDMSNQDV833 INAIEQDYRL 843 PPPMDCPAAL853 HQLMLDCWQK863 DRNSRPRFAE873 IVNTLDKMIR883 NPASLK |
|||||
|
|
||||||
| PDB ID: 7KPM Crystal structure of hEphB1 bound with ADP | ||||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | No | [2] |
| PDB Sequence |
AKEIDVSFVK
620 IEEVIGAGEF630 GEVYKGRLKL640 PGKREIVAIK651 TLKAGYSEKQ661 RRDFLSEASI 671 MGQFDHPNII681 RLEGVVTKSR691 PVMIITEFME701 NGALDSFLRQ711 NDGQFTVIQL 721 VGMLRGIAAG731 MKYLAEMNYV741 HRDLAARNIL751 VNSNLVCKVS761 DFPVRWTAPE 794 AIAYRKFTSA804 SDVWSYGIVM814 WEVMSFGERP824 YWDMSNQDVI834 NAIEQDYRLP 844 PPMDCPAALH854 QLMLDCWQKD864 RNSRPRFAEI874 VNTLDKMIRN884 PASL |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PTR or .PTR2 or .PTR3 or :3PTR;style chemicals stick;color identity;select .A:622 or .A:635 or .A:636 or .A:637 or .A:645 or .A:646 or .A:648 or .A:649 or .A:697 or .A:698 or .A:699; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases. ACS Chem Biol. 2017 Jun 16;12(6):1499-1503. | ||||
| REF 2 | Identification of tetracycline combinations as EphB1 tyrosine kinase inhibitors for treatment of neuropathic pain. Proc Natl Acad Sci U S A. 2021 Mar 9;118(10):e2016265118. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.