2024-08-31_00000331|ligand|9EO6

SARS-CoV2 major protease in complex with a covalent inhibitor SLL11.; X-ray diffraction 2.11Å
Protein #1 306 residues (100% resolved)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2 A1H59

InChI=1S/C35H40N8O4/c1-37-34(46)30(16-23-9-12-38-13-10-23)42-32(44)19-26(18-25-21-40-29-8-3-2-7-28(25)29)41-35(47)31(15-22-5-4-6-22)43-33(45)24-11-14-39-27(17-24)20-36/h2-3,7-14,17,20-22,26,30-31,36,40H,4-6,15-16,18-19H2,1H3,(H,37,46)(H,41,47)(H,42,44)(H,43,45)/b36-20+/t26-,30-,31+/m1/s1

[H]/N=C/c1cc(ccn1)C(=O)N[C@@H](CC2CCC2)C(=O)N[C@H](Cc3c[nH]c4c3cccc4)CC(=O)N[C@H](Cc5ccncc5)C(=O)NC
Non polymer #3 K

InChI=1S/K/q+1

[K+]
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Reference