2024-08-31_00000332|ligand|9EOR

SARS-CoV2 major protease in complex with a covalent inhibitor SLL12.; X-ray diffraction 2.25Å
Protein #1 306 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1H7K

InChI=1S/C34H38N8O4/c1-3-4-8-29(42-32(44)23-12-15-38-26(17-23)20-35)34(46)40-25(18-24-21-39-28-9-6-5-7-27(24)28)19-31(43)41-30(33(45)36-2)16-22-10-13-37-14-11-22/h5-7,9-15,17,21,25,29-30,39H,3-4,8,16,18-19H2,1-2H3,(H,36,45)(H,40,46)(H,41,43)(H,42,44)/t25-,29+,30+/m0/s1

CCCC[C@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)CC(=O)N[C@H](Cc3ccncc3)C(=O)NC)NC(=O)c4ccnc(c4)C#N
Non polymer #3 K

InChI=1S/K/q+1

[K+]
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Reference