2025-07-05_00000290
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ligand
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9RIZ
SARS-CoV-2 with a bound inhibitor;
X-ray diffraction 1.73Å
Protein #1
306 residues (100% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1JGN
InChI=1S/C18H17N3O2/c22-16-10-15(14-5-2-8-19-17(14)21-16)18(23)20-13-4-1-3-12(9-13)11-6-7-11/h1-5,8-9,11,15H,6-7,10H2,(H,20,23)(H,19,21,22)/t15-/m1/s1
InChI=1S/C18H17N3O2/c22-16-10-15(14-5-2-8-19-17(14)21-16)18(23)20-13-4-1-3-12(9-13)11-6-7-11/h1-5,8-9,11,15H,6-7,10H2,(H,20,23)(H,19,21,22)/t15-/m1/s1
SMILES: c1cc(cc(c1)NC(=O)[C@@H]2CC(=O)Nc3c2cccn3)C4CC4
c1cc(cc(c1)NC(=O)[C@@H]2CC(=O)Nc3c2cccn3)C4CC4
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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