2026-02-14_00000329
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ligand
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9OJG
Co-Structure of Main Protease of SARS-CoV-2 with Compound 2;
X-ray diffraction 2.21Å
Protein #1
306 residues (100% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1CBY
InChI=1S/C18H10F3N3O2/c19-18(20,21)11-5-6-14-13(7-11)16(25)24(17(26)23-14)15-9-22-8-10-3-1-2-4-12(10)15/h1-5,7-9H,6H2
InChI=1S/C18H10F3N3O2/c19-18(20,21)11-5-6-14-13(7-11)16(25)24(17(26)23-14)15-9-22-8-10-3-1-2-4-12(10)15/h1-5,7-9H,6H2
SMILES: c1ccc2c(c1)cncc2N3C(=O)C4=CC(=CCC4=NC3=O)C(F)(F)F
c1ccc2c(c1)cncc2N3C(=O)C4=CC(=CCC4=NC3=O)C(F)(F)F
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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