2025-10-25_00000095|ligand|9H4B

Crystal structure of SARS-CoV-2 Mpro in complex with GK-730; X-ray diffraction 1.90Å
Protein #1 306 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1ISK

InChI=1S/C31H43N5O8S/c1-17(2)13-22(34-28(40)24(18(3)4)36-31(42)44-15-19-9-7-6-8-10-19)27(39)33-21(14-20-11-12-32-26(20)38)25(37)29-35-23(16-45-29)30(41)43-5/h6-10,16-18,20-22,24-25,37H,11-15H2,1-5H3,(H,32,38)(H,33,39)(H,34,40)(H,36,42)/t20-,21-,22-,24?,25+/m0/s1

CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](c2nc(cs2)C(=O)OC)O)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3
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Reference