3LOX
HCV NS3-4a protease domain with a ketoamide inhibitor derivative of Boceprevir bound
Summary for 3LOX
Entry DOI | 10.2210/pdb3lox/pdb |
Related PRD ID | PRD_000843 |
Descriptor | HCV NS3 Protease, HCV NS4a(21-39) peptide, ZINC ION, ... (6 entities in total) |
Functional Keywords | ns3 protease domain, serine protease, ketoamide inhibitor, atp-binding, hydrolase, membrane, nucleotide-binding, rna replication, transmembrane, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Hepatitis C virus subtype 1a |
Total number of polymer chains | 4 |
Total formula weight | 48025.24 |
Authors | Prongay, A.J. (deposition date: 2010-02-04, release date: 2011-02-23, Last modification date: 2024-04-03) |
Primary citation | Bennett, F.,Huang, Y.,Hendrata, S.,Lovey, R.,Bogen, S.L.,Pan, W.,Guo, Z.,Prongay, A.,Chen, K.X.,Arasappan, A.,Venkatraman, S.,Velazquez, F.,Nair, L.,Sannigrahi, M.,Tong, X.,Pichardo, J.,Cheng, K.C.,Girijavallabhan, V.M.,Saksena, A.K.,Njoroge, F.G. The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor. Bioorg.Med.Chem.Lett., 20:2617-2621, 2010 Cited by PubMed: 20303756DOI: 10.1016/j.bmcl.2010.02.063 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.65 Å) |
Structure validation
Download full validation report