2025-07-05_00000285
|
ligand
|
9RI5
SARS-CoV-2 with a bound inhibitor;
X-ray diffraction 1.63Å
Protein #1
306 residues (99% resolved)
Raw Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Canonical Sequence ...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
Non polymer #2
A1JGB
InChI=1S/C21H20N2OS/c24-21(11-16-5-3-9-22-14-16)23(15-20-8-4-10-25-20)19-12-17-6-1-2-7-18(17)13-19/h1-10,14,19H,11-13,15H2
InChI=1S/C21H20N2OS/c24-21(11-16-5-3-9-22-14-16)23(15-20-8-4-10-25-20)19-12-17-6-1-2-7-18(17)13-19/h1-10,14,19H,11-13,15H2
SMILES: c1ccc2c(c1)CC(C2)N(Cc3cccs3)C(=O)Cc4cccnc4
c1ccc2c(c1)CC(C2)N(Cc3cccs3)C(=O)Cc4cccnc4
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%