Structure of PDB 8gk3 Chain A Binding Site BS03 |
| >8gk3 Chain A (length=473) Species: 9606 (Homo sapiens)
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YGTRTHGLFKKLGIPGPTPLPFLGNALSFRKGYWTFDMECYKKYGKVWGI
YDGQQPMLAITDPDMIKTVLVKECYSVFTNRRPFGPVGFMKNAISIAEDE
EWKRIRSLLSPTFTSGKLKEMVPIIAQYGDVLVRNLRREAETGKPVTLKH
VFGAYSMDVITSTSFGVSIDSLNNPQDPFVENTKKLLRFNPLDPFVLSIK
VFPFLTPILEALNITVFPREVISFLTKSVKQIKEGRLKETQKHRVDFLQL
MIDSQNSKDSETHKALSDLELMAQSIIFIFAGYETTSSVLSFIIYELATH
PDVQQKVQKEIDTVLPNKAPPTYDTVLQLEYLDMVVNETLRLFPVAMRLE
RVCKKDVEINGMFIPKGVVVMIPSYVLHHDPKYWTEPEKFLPERFSAANA
DNIDPYIYTPFGSGPRNCIGMRFALVNMKLALVRVLQNFSFKPCKETQIP
LKLRFGGLLLTEKPIVLKAESRD |
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| Ligand ID | ZWY |
| InChI | InChI=1S/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)/t13-,14-,15-,16-,18-,19-/m0/s1 |
| InChIKey | CZWCKYRVOZZJNM-USOAJAOKSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)O[S](O)(=O)=O)[C@@H]1CCC2=O | | OpenEye OEToolkits 2.0.7 | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C | | CACTVS 3.385 | C[C]12CC[CH]3[CH](CC=C4C[CH](CC[C]34C)O[S](O)(=O)=O)[CH]1CCC2=O | | OpenEye OEToolkits 2.0.7 | CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C | | ACDLabs 12.01 | O=S(=O)(O)OC1CCC2(C)C3CCC4(C)C(CCC4=O)C3CC=C2C1 |
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| Formula | C19 H28 O5 S |
| Name | 17-oxoandrost-5-en-3beta-yl hydrogen sulfate;
Dehydroepiandrosterone sulfate;
DHEA sulfate;
DHEA-S |
| ChEMBL | CHEMBL259898 |
| DrugBank | DB05804 |
| ZINC | ZINC000004096458
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| PDB chain | 8gk3 Chain A Residue 603
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| Enzyme Commision number |
1.14.14.1: unspecific monooxygenase. |
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Molecular Function |
| GO:0004497 |
monooxygenase activity |
| GO:0005506 |
iron ion binding |
| GO:0008395 |
steroid hydroxylase activity |
| GO:0008401 |
retinoic acid 4-hydroxylase activity |
| GO:0016705 |
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| GO:0016712 |
oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen |
| GO:0019825 |
oxygen binding |
| GO:0020037 |
heme binding |
| GO:0046872 |
metal ion binding |
| GO:0050649 |
testosterone 6-beta-hydroxylase activity |
| GO:0062183 |
all-trans retinoic acid 18-hydroxylase activity |
| GO:0070330 |
aromatase activity |
| GO:0101020 |
estrogen 16-alpha-hydroxylase activity |
| GO:0101021 |
estrogen 2-hydroxylase activity |
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