2025-02-01_00000072
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ligand
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8Y7U
Crystal structure of SARS-CoV-2 main protease in complex with C5;
X-ray diffraction 2.20Å
Protein #1
306 residues (98% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRHNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRHNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1LX2
InChI=1S/C18H11F4N5O3/c19-12-7-10(4-5-11(12)18(20,21)22)27-17(30)26(16(29)14(8-23)25-27)9-15(28)13-3-1-2-6-24-13/h1-8,23H,9H2/b23-8-
InChI=1S/C18H11F4N5O3/c19-12-7-10(4-5-11(12)18(20,21)22)27-17(30)26(16(29)14(8-23)25-27)9-15(28)13-3-1-2-6-24-13/h1-8,23H,9H2/b23-8-
SMILES: [H]/N=CC1=NN(C(=O)N(C1=O)CC(=O)c2ccccn2)c3ccc(c(c3)F)C(F)(F)F
[H]/N=CC1=NN(C(=O)N(C1=O)CC(=O)c2ccccn2)c3ccc(c(c3)F)C(F)(F)F
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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