2025-07-19_00000183
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ligand
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9MVM
Crystal Structure of SARS-CoV-2 Main Protease (Mpro)in Complex with Inhibitor AVI-3318;
X-ray diffraction 1.96Å
Protein #1
314 residues (97% resolved)
Raw Sequence ...
LGSSAVLQSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGS(CSO)GSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
LGSSAVLQSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1BTM
InChI=1S/C15H14ClN3O3S/c16-11-6-12(23-9-11)8-18-5-3-13(20)19(15(18)22)7-10-2-1-4-17-14(10)21/h1-2,4,6,9H,3,5,7-8H2,(H,17,21)
InChI=1S/C15H14ClN3O3S/c16-11-6-12(23-9-11)8-18-5-3-13(20)19(15(18)22)7-10-2-1-4-17-14(10)21/h1-2,4,6,9H,3,5,7-8H2,(H,17,21)
SMILES: c1c(csc1CN2CCC(=O)N(C2=O)CC3=CC=CNC3=O)Cl
c1c(csc1CN2CCC(=O)N(C2=O)CC3=CC=CNC3=O)Cl
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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