2025-07-05_00000295
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ligand
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9RJ8
SARS-CoV-2 with a bound inhibitor;
X-ray diffraction 1.43Å
Protein #1
306 residues (99% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1JGT
InChI=1S/C22H22FN3O2S/c23-20-8-4-9-21-19(20)11-14-26(21)22(27)25(16-18-10-12-24-29-18)13-5-15-28-17-6-2-1-3-7-17/h1-4,6-10,12H,5,11,13-16H2
InChI=1S/C22H22FN3O2S/c23-20-8-4-9-21-19(20)11-14-26(21)22(27)25(16-18-10-12-24-29-18)13-5-15-28-17-6-2-1-3-7-17/h1-4,6-10,12H,5,11,13-16H2
SMILES: c1ccc(cc1)OCCCN(Cc2ccns2)C(=O)N3CCc4c3cccc4F
c1ccc(cc1)OCCCN(Cc2ccns2)C(=O)N3CCc4c3cccc4F
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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