2025-07-05_00000278
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ligand
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9RHS
Structure of 3CL protease with a bound inhibitor;
X-ray diffraction 1.64Å
Protein #1
306 residues (99% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1JF7
InChI=1S/C10H8BrN5O3/c11-8-2-1-7(5-9(8)16(18)19)13-10(17)6-15-4-3-12-14-15/h1-5H,6H2,(H,13,17)
InChI=1S/C10H8BrN5O3/c11-8-2-1-7(5-9(8)16(18)19)13-10(17)6-15-4-3-12-14-15/h1-5H,6H2,(H,13,17)
SMILES: c1cc(c(cc1NC(=O)Cn2ccnn2)[N+](=O)[O-])Br
c1cc(c(cc1NC(=O)Cn2ccnn2)[N+](=O)[O-])Br
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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