2026-08-15_00000147|ligand|9T5F

Crystal structure of SARS-CoV-2 Mpro in complex with RK-491; X-ray diffraction 1.68Å
Protein #1 305 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
Non polymer #2 A1JTV

InChI=1S/C31H44F3N5O6/c1-30(2,3)24(39-29(45)31(32,33)34)28(44)38-22-16-19-11-8-10-18(15-19)9-6-4-5-7-13-35-27(43)23(40)21(37-26(22)42)17-20-12-14-36-25(20)41/h8,10-11,15,20-24,40H,4-7,9,12-14,16-17H2,1-3H3,(H,35,43)(H,36,41)(H,37,42)(H,38,44)(H,39,45)/t20-,21-,22-,23+,24+/m0/s1

CC(C)(C)[C@@H](C(=O)N[C@H]1Cc2cccc(c2)CCCCCCNC(=O)[C@@H]([C@@H](NC1=O)C[C@@H]3CCNC3=O)O)NC(=O)C(F)(F)F
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Reference