Structure of PDB 2ewb Chain A Binding Site BS04 |
| >2ewb Chain A (length=486) Species: 9913 (Bos taurus)
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TKGLVLGIYSKEKEEDEPQFTSAGENFNKLVSGKLREILNISGPPLKAGK
TRTFYGLHEDFPSVVVVGLGKKTAGIDEQENWHEGKENIRAAVAAGCRQI
QDLEIPSVEVDPCGDAQAAAEGAVLGLYEYDDLKQKRKVVVSAKLHGSED
QEAWQRGVLFASGQNLARRLMETPANEMTPTKFAEIVEENLKSASIKTDV
FIRPKSWIEEQEMGSFLSVAKGSEEPPVFLEIHYKGSPNASEPPLVFVGK
GITFDSGGISIKAAANMDLMRADMGGAATICSAIVSAAKLDLPINIVGLA
PLCENMPSGKANKPGDVVRARNGKTIQVDNTDAEGRLILADALCYAHTFN
PKVIINAATLTGAMDIALGSGATGVFTNSSWLWNKLFEASIETGDRVWRM
PLFEHYTRQVIDCQLADVNNIGKYRSAGACTAAAFLKEFVTHPKWAHLDI
AGVMTNKDEVPYLRKGMAGRPTRTLIEFLFRFSQDS |
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| Ligand ID | ZED |
| InChI | InChI=1S/C15H19NO3S2/c1-10(9-20)14(17)16-8-12(7-13(16)15(18)19)21-11-5-3-2-4-6-11/h2-6,10,12-13,20H,7-9H2,1H3,(H,18,19)/t10-,12+,13+/m1/s1 |
| InChIKey | UQWLOWFDKAFKAP-WXHSDQCUSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.341 | C[CH](CS)C(=O)N1C[CH](C[CH]1C(O)=O)Sc2ccccc2 | | ACDLabs 10.04 | O=C(N2C(C(=O)O)CC(Sc1ccccc1)C2)C(C)CS | | OpenEye OEToolkits 1.5.0 | CC(CS)C(=O)N1CC(CC1C(=O)O)Sc2ccccc2 | | OpenEye OEToolkits 1.5.0 | C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)Sc2ccccc2 | | CACTVS 3.341 | C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(O)=O)Sc2ccccc2 |
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| Formula | C15 H19 N O3 S2 |
| Name | L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S;
ZOFENOPRILAT |
| ChEMBL | CHEMBL16332 |
| DrugBank | DB08766 |
| ZINC | ZINC000003780852
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| PDB chain | 2ewb Chain A Residue 2000
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| Catalytic site (original residue number in PDB) |
K262 R336 |
| Catalytic site (residue number reindexed from 1) |
K262 R336 |
| Enzyme Commision number |
3.4.11.1: leucyl aminopeptidase.
3.4.11.5: prolyl aminopeptidase.
3.4.13.23: cysteinylglycine-S-conjugate dipeptidase. |
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