2025-07-19_00000186
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ligand
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9MVQ
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) variant Q192T in Complex with Inhibitor AVI-4303;
X-ray diffraction 1.57Å
Protein #1
305 residues (100% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTATAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTATAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
Non polymer #2
A1BTN
InChI=1S/C25H15ClN6O2/c26-17-8-5-7-15(12-17)22-23(32-20-11-4-3-10-19(20)29-30-32)24(33)31(25(34)28-22)21-14-27-13-16-6-1-2-9-18(16)21/h1-14H,(H,28,34)
InChI=1S/C25H15ClN6O2/c26-17-8-5-7-15(12-17)22-23(32-20-11-4-3-10-19(20)29-30-32)24(33)31(25(34)28-22)21-14-27-13-16-6-1-2-9-18(16)21/h1-14H,(H,28,34)
SMILES: c1ccc2c(c1)cncc2N3C(=O)C(=C(NC3=O)c4cccc(c4)Cl)n5c6ccccc6nn5
c1ccc2c(c1)cncc2N3C(=O)C(=C(NC3=O)c4cccc(c4)Cl)n5c6ccccc6nn5
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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