5FPY

Structure of hepatitis C virus (HCV) full-length NS3 complex with small-molecule ligand 5-bromo-1-methyl-1H-indole-2-carboxylic acid (AT21457) in an alternate binding site.

Summary for 5FPY

• Entry DOI: 10.2210/pdb5fpy/pdb
• Related: 5FP5 5FP6 5FPD 5FPE 5FPM 5FPN 5FPO 5FPR 5FPS 5FPT
• Descriptor: SERINE PROTEASE NS3, 5-bromo-1-methyl-1H-indole-2-carboxylic acid (3 entities in total)
• Functional Keywords: hepatitis c virus, hcv, ns3 complex, protease-helicase, hydrolase, protein-ligand complex, fragment screening, alternate binding site, at21457.
• Biological source: HEPATITIS C VIRUS (ISOLATE BK)
• Cellular location: Core protein p21: Host endoplasmic reticulum membrane; Single-pass membrane protein. Core protein p19: Virion . Envelope glycoprotein E1: Virion membrane ; Single-pass type I membrane protein . Envelope glycoprotein E2: Virion membrane ; Single-pass type I membrane protein . p7: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Protease NS2-3: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . Serine protease NS3: Host endoplasmic reticulum membrane ; Peripheral membrane protein . Non-structural protein 4A: Host endoplasmic reticulum membrane ; Single-pass type I membrane protein . Non-structural protein 4B: Host endoplasmic reticulum membrane ; Multi-pass membrane protein . 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 : P26663
• Total number of polymer chains: 2
• Total formula weight: 142246.94

Authors

Davies, T.G.,Jhoti, H.,Ludlow, R.F.,Saini, H.K.,Tickle, I.J.,Verdonk, M. (deposition date: 2015-12-03, release date: 2015-12-23, Last modification date: 2024-01-10)

• Primary citation: Ludlow, R.F.,Verdonk, M.L.,Saini, H.K.,Tickle, I.J.,Jhoti, H.; Detection of Secondary Binding Sites in Proteins Using Fragment Screening.; Proc.Natl.Acad.Sci.USA, 112:15910-, 2015; PubMed: 26655740; DOI: 10.1073/PNAS.1518946112

Experimental method

X-RAY DIFFRACTION (2.52 Å)