2025-05-10_00000119|ligand|9BQO

Structure of the SARS-CoV-2 main protease in complex with inhibitor k88; X-ray diffraction 2.50Å
Protein #1 306 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1ARM

InChI=1S/C33H52N4O7/c1-22(44-33(2,3)4)28(37-32(42)43-21-24-14-9-6-10-15-24)31(41)36-27(18-23-12-7-5-8-13-23)30(40)35-26(20-38)19-25-16-11-17-34-29(25)39/h6,9-10,14-15,22-23,25-28,38H,5,7-8,11-13,16-21H2,1-4H3,(H,34,39)(H,35,40)(H,36,41)(H,37,42)/t22-,25+,26-,27+,28+/m1/s1

C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCCNC2=O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C
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