2026-05-23_00000362
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ligand
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9XFR
The crystal structure of SARS-CoV-2 Main protease in complex with inhibitor FD2-12;
X-ray diffraction 2.15Å
Protein #1
305 residues (100% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
Non polymer #2
A1EZ6
InChI=1S/C18H16ClN3O2/c1-11-6-13(10-20-9-11)22-16(23)18(21-17(22)24)7-12(8-18)14-4-2-3-5-15(14)19/h2-6,9-10,12H,7-8H2,1H3,(H,21,24)/t12-,18+
InChI=1S/C18H16ClN3O2/c1-11-6-13(10-20-9-11)22-16(23)18(21-17(22)24)7-12(8-18)14-4-2-3-5-15(14)19/h2-6,9-10,12H,7-8H2,1H3,(H,21,24)/t12-,18+
SMILES: Cc1cc(cnc1)N2C(=O)C3(CC(C3)c4ccccc4Cl)NC2=O
Cc1cc(cnc1)N2C(=O)C3(CC(C3)c4ccccc4Cl)NC2=O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%