2GVF

HCV NS3-4A protease domain complexed with a macrocyclic ketoamide inhibitor, SCH419021

Summary for 2GVF

Entry DOI	10.2210/pdb2gvf/pdb
Related	1A1R 1RGQ 2A4G 2A4Q 2A4R 2FM2
Descriptor	polyprotein, Polyprotein, ZINC ION, ... (5 entities in total)
Functional Keywords	hepatitis c, protease, ketoamide inhibitor, hydrolase
Biological source	Hepatitis C virus More
Total number of polymer chains	4
Total formula weight	47911.88
Authors	Arasappan, A.,Njoroge, F.G.,Chen, K.X.,Venkatraman, S.,Parekh, T.N.,Gu, H.,Pichardo, J.,Butkiewicz, N.,Prongay, A.,Madison, V.,Girijavallabhan, V. (deposition date: 2006-05-02, release date: 2007-01-23, Last modification date: 2024-11-20)
Primary citation	Arasappan, A.,Njoroge, F.G.,Chen, K.X.,Venkatraman, S.,Parekh, T.N.,Gu, H.,Pichardo, J.,Butkiewicz, N.,Prongay, A.,Madison, V.,Girijavallabhan, V. P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease. Bioorg.Med.Chem.Lett., 16:3960-3965, 2006 Cited by PubMed Abstract: Synthesis and HCV NS3 serine protease inhibitory activity of 4-hydroxyproline derived macrocyclic inhibitors and SAR around this macrocyclic core is described in this communication. X-ray structure of inhibitor 38 bound to the protease is discussed. PubMed: 16730985 DOI: 10.1016/j.bmcl.2006.05.022 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.5 Å)

Structure validation