2026-08-29_00000129
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ligand
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32NU
Crystal structure of SARS-CoV-2 Mpro in complex with NSC47924;
X-ray diffraction 1.90Å
Protein #1
306 residues (100% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1KEA
InChI=1S/C18H17NO2/c1-21-15-9-7-14(8-10-15)19-12-17-16-5-3-2-4-13(16)6-11-18(17)20/h2-11,19-20H,12H2,1H3
InChI=1S/C18H17NO2/c1-21-15-9-7-14(8-10-15)19-12-17-16-5-3-2-4-13(16)6-11-18(17)20/h2-11,19-20H,12H2,1H3
SMILES: COc1ccc(cc1)NCc2c3ccccc3ccc2O
COc1ccc(cc1)NCc2c3ccccc3ccc2O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%