Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Chlortetracycline | Ligand Info | |||||
| Structure Description | Crystal structure of hEphB1 bound with chlortetracycline | PDB:6UMW | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [1] |
| 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 |
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|
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ILE625
3.776
GLY626
4.828
VAL633
3.742
ALA649
3.344
ILE650
4.748
LYS651
2.860
GLU668
4.430
MET672
2.884
ILE681
3.091
ILE695
4.275
THR697
2.362
GLU698
3.047
|
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| Ligand Name: adenosine diphosphate | Ligand Info | |||||
| Structure Description | Crystal structure of hEphB1 bound with ADP | PDB:7KPM | ||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | No | [1] |
| 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 |
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ILE625
3.606
GLY626
3.507
ALA627
3.520
GLY628
3.108
GLU629
3.145
PHE630
2.700
GLY631
3.444
VAL633
3.617
ALA649
3.419
LYS651
2.638
THR652
4.749
PHE665
4.261
|
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| Ligand Name: Phosphonotyrosine | Ligand Info | |||||
| Structure Description | Crystal structure of hEphB1 bound with ADP | PDB:7KPM | ||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | No | [1] |
| 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 |
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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 .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 #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-Chloranyl-~{n}-[4-[(2-Chloranyl-5-Oxidanyl-Phenyl)amino]quinazolin-7-Yl]ethanamide | Ligand Info | |||||
| Structure Description | Kinase domain of human EphB1 bound to a quinazoline-based inhibitor | PDB:5MJA | ||||
| Method | X-ray diffraction | Resolution | 2.14 Å | Mutation | No | [2] |
| 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
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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 .7O3 or .7O32 or .7O33 or :37O3;style chemicals stick;color identity;select .A:625 or .A:633 or .A:649 or .A:650 or .A:651 or .A:668 or .A:672 or .A:681 or .A:695 or .A:697 or .A:698 or .A:699 or .A:700 or .A:701 or .A:702 or .A:703 or .A:704 or .A:751 or .A:761 or .A:762 or .A:763; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE625
3.712
VAL633
3.679
ALA649
3.190
ILE650
3.826
LYS651
3.541
GLU668
2.624
MET672
3.951
ILE681
4.313
ILE695
3.903
THR697
3.000
GLU698
3.159
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | 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. | ||||
| REF 2 | A Chemical-Genetic Approach to Generate Selective Covalent Inhibitors of Protein Kinases. ACS Chem Biol. 2017 Jun 16;12(6):1499-1503. | ||||
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