2025-07-05_00000284
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ligand
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9RI4
SARS-CoV-2 with a bound inhibitor;
X-ray diffraction 1.76Å
Protein #1
306 residues (99% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1JGC
InChI=1S/C16H13ClFN3O3/c17-10-5-4-8(6-11(10)18)9-7-13(9)20-16(22)15-12(19)2-1-3-14(15)21(23)24/h1-6,9,13H,7,19H2,(H,20,22)/t9-,13+/m0/s1
InChI=1S/C16H13ClFN3O3/c17-10-5-4-8(6-11(10)18)9-7-13(9)20-16(22)15-12(19)2-1-3-14(15)21(23)24/h1-6,9,13H,7,19H2,(H,20,22)/t9-,13+/m0/s1
SMILES: c1cc(c(c(c1)[N+](=O)[O-])C(=O)N[C@@H]2C[C@H]2c3ccc(c(c3)F)Cl)N
c1cc(c(c(c1)[N+](=O)[O-])C(=O)N[C@@H]2C[C@H]2c3ccc(c(c3)F)Cl)N
Non polymer #3
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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