Structure of PDB 3sfg Chain A Binding Site BS01 |
| >3sfg Chain A (length=480) Species: 223997 (Murine norovirus 1)
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LPRPSGTYAGLPIADYGDAPPLSTKTMFWRTSPEKLPPGAWEPAYLGSKD
ERVDGPSLQQVMRDQLKPYSEPRGLLPPQEILDAVCDAIENRLENTLEPQ
KPWTFKKACESLDKNTSSGYPYHKQKSKDWTGSAFIGDLGDQATHANNMY
EMGKSMRPIYTAALKDELVKPDKIYGKIKKRLLWGSDLGTMIRAARAFGP
FCDALKETCIFNPIRVGMSMNEDGPFIFARHANFRYHMDADYTRWDSTQQ
RAILKRAGDIMVRLSPEPDLARVVMDDLLAPSLLDVGDYKIVVEEGLPSG
CPCTTQLNSLAHWILTLCAMVEVTRVDPDIVMQESEFSFYGDDEVVSTNL
ELDMVKYTMALRRYGLLPTRADKEEGPLERRQTLQGISFLRRAIVGDQFG
WYGRLDRASIDRQLLWTKGPNHQNPFETLPGHAQRPSQLMALLGEAAMHG
EKYYRTVASRVSKMVVPRHRSVLRWVRFGT |
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| Ligand ID | 2TU |
| InChI | InChI=1S/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | GJTBSTBJLVYKAU-XVFCMESISA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.370 | OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2=S | | CACTVS 3.370 | OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2=S | | OpenEye OEToolkits 1.7.2 | C1=CN(C(=S)NC1=O)C2C(C(C(O2)CO)O)O | | OpenEye OEToolkits 1.7.2 | C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O | | ACDLabs 12.01 | O=C1NC(=S)N(C=C1)C2OC(C(O)C2O)CO |
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| Formula | C9 H12 N2 O5 S |
| Name | 1-(beta-D-ribofuranosyl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one;
2-thiouridine |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000004501448
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| PDB chain | 3sfg Chain A Residue 601
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| Enzyme Commision number |
2.7.7.48: RNA-directed RNA polymerase.
3.4.22.66: calicivirin.
3.6.1.15: nucleoside-triphosphate phosphatase. |
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