2A4G

Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound

Summary for 2A4G

• Entry DOI: 10.2210/pdb2a4g/pdb
• Descriptor: NS3 protease/helicase, NS4a peptide, ZINC ION, ... (5 entities in total)
• Functional Keywords: viral protein
• Biological source: Hepatitis C virus; More
• Total number of polymer chains: 4
• Total formula weight: 48072.18

Authors

Arasappan, A.,Njoroge, F.G.,Chan, T.Y.,Bennett, F.,Bogen, S.L.,Chen, K.,Gu, H.,Hong, L.,Jao, E.,Liu, Y.T.,Lovey, R.G.,Parekh, T.,Pike, R.E.,Pinto, P.,Santhanam, B.,Venkatraman, S.,Vaccaro, H.,Wang, H.,Yang, X.,Zhu, Z.,Mckittrick, B.,Saksena, A.K.,Girijavallabhan, V.,Pichardo, J.,Butkiewicz, N.,Ingram, R.,Malcolm, B.,Prongay, A.J.,Yao, N.,Marten, B.,Madison, V.,Kemp, S.,Levy, O.,Lim-Wilby, M.,Tamura, S.,Ganguly, A.K. (deposition date: 2005-06-28, release date: 2006-07-04, Last modification date: 2024-10-09)

Primary citation

Arasappan, A.,Njoroge, F.G.,Chan, T.Y.,Bennett, F.,Bogen, S.L.,Chen, K.,Gu, H.,Hong, L.,Jao, E.,Liu, Y.T.,Lovey, R.G.,Parekh, T.,Pike, R.E.,Pinto, P.,Santhanam, B.,Venkatraman, S.,Vaccaro, H.,Wang, H.,Yang, X.,Zhu, Z.,Mckittrick, B.,Saksena, A.K.,Girijavallabhan, V.,Pichardo, J.,Butkiewicz, N.,Ingram, R.,Malcolm, B.,Prongay, A.J.,Yao, N.,Marten, B.,Madison, V.,Kemp, S.,Levy, O.,Lim-Wilby, M.,Tamura, S.,Ganguly, A.K.
Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
Bioorg.Med.Chem.Lett., 15:4180-4184, 2005

PubMed Abstract: We have discovered that introduction of appropriate amino acid derivatives at P'2 position improved the binding potency of P3-capped alpha-ketoamide inhibitors of HCV NS3 serine protease. X-ray crystal structure of one of the inhibitors (43) bound to the protease revealed the importance of the P'2 moiety.

PubMed: 16087332
DOI: 10.1016/j.bmcl.2005.06.091

Experimental method

X-RAY DIFFRACTION (2.5 Å)