2025-07-05_00000288
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ligand
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9RIX
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
A1JGK
InChI=1S/C20H17FN2O2S/c21-13-5-6-15-16(10-19(24)23-17(15)9-13)20(25)22-8-7-12-11-26-18-4-2-1-3-14(12)18/h1-6,9,11,16H,7-8,10H2,(H,22,25)(H,23,24)/t16-/m1/s1
InChI=1S/C20H17FN2O2S/c21-13-5-6-15-16(10-19(24)23-17(15)9-13)20(25)22-8-7-12-11-26-18-4-2-1-3-14(12)18/h1-6,9,11,16H,7-8,10H2,(H,22,25)(H,23,24)/t16-/m1/s1
SMILES: c1ccc2c(c1)c(cs2)CCNC(=O)[C@@H]3CC(=O)Nc4c3ccc(c4)F
c1ccc2c(c1)c(cs2)CCNC(=O)[C@@H]3CC(=O)Nc4c3ccc(c4)F
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Biounit #1
homo-dimer
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Model
Reference
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