4KTC

NS3/NS4A protease with inhibitor

Summary for 4KTC

• Entry DOI: 10.2210/pdb4ktc/pdb
• Related PRD ID: PRD_001133
• Descriptor: Serine protease NS3, NS4A peptide, ZINC ION, ... (5 entities in total)
• Functional Keywords: protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Hepatitis C virus (isolate Japanese) (HCV); More
• Cellular location: Core protein p21: Host endoplasmic reticulum membrane; Single-pass membrane protein (By similarity). Core protein p19: Virion (By similarity). Envelope glycoprotein E1: Virion membrane; Single-pass type I membrane protein (Potential). Envelope glycoprotein E2: Virion membrane; Single-pass type I membrane protein (Potential). p7: Host endoplasmic reticulum membrane; Multi-pass membrane protein (By similarity). Protease NS2-3: Host endoplasmic reticulum membrane; Multi-pass membrane protein (Potential). Serine protease NS3: Host endoplasmic reticulum membrane; Peripheral membrane protein (By similarity). Non-structural protein 4A: Host endoplasmic reticulum membrane; Single-pass type I membrane protein (Potential). Non-structural protein 4B: Host endoplasmic reticulum membrane; Multi-pass membrane protein (By similarity). Non-structural protein 5A: Host endoplasmic reticulum membrane; Peripheral membrane protein. RNA-directed RNA polymerase: Host endoplasmic reticulum membrane; Single-pass type I membrane protein (Potential): P26662
• Total number of polymer chains: 4
• Total formula weight: 45036.56

Authors

Zhang, H.,Ballard, J.,Vigers, G.P.A.,Brandhuber, B.J. (deposition date: 2013-05-20, release date: 2013-08-07, Last modification date: 2023-09-20)

• Primary citation: Jiang, Y.,Andrews, S.W.,Condroski, K.R.,Buckman, B.,Serebryany, V.,Wenglowsky, S.,Kennedy, A.L.,Madduru, M.R.,Wang, B.,Lyon, M.,Doherty, G.A.,Woodard, B.T.,Lemieux, C.,Do, M.G.,Zhang, H.,Ballard, J.,Vigers, G.,Brandhuber, B.J.,Stengel, P.,Josey, J.A.,Beigelman, L.,Blatt, L.,Seiwert, S.D.; Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease.; J.Med.Chem., 57:1753-1769, 2014; PubMed: 23672640; DOI: 10.1021/jm400164c

Experimental method

X-RAY DIFFRACTION (2.3 Å)