2025-05-10_00000134
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ligand
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9BSG
Structure of the SARS-CoV-2 main protease in complex with inhibitor VB-C-20;
X-ray diffraction 1.75Å
Protein #1
306 residues (100% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1AR8
InChI=1S/C16H15ClN2O3/c1-22-16(21)8-7-15(20)19(13-5-3-2-4-6-13)14-9-12(17)10-18-11-14/h2-6,9-11H,7-8H2,1H3
InChI=1S/C16H15ClN2O3/c1-22-16(21)8-7-15(20)19(13-5-3-2-4-6-13)14-9-12(17)10-18-11-14/h2-6,9-11H,7-8H2,1H3
SMILES: COC(=O)CCC(=O)N(c1ccccc1)c2cc(cnc2)Cl
COC(=O)CCC(=O)N(c1ccccc1)c2cc(cnc2)Cl
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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