5TRJ
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid
Summary for 5TRJ
Entry DOI | 10.2210/pdb5trj/pdb |
Related | 5TRH 5TRI 5TRK |
Descriptor | RNA-DEPENDENT RNA POLYMERASE, (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid, 2-{[2-(carboxymethoxy)benzene-1-carbonyl]amino}-3-[(4-chlorophenyl)methoxy]benzoic acid, ... (5 entities in total) |
Functional Keywords | ns5b, polymerase, hcv, fingers, palm, thumb, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Hepatitis C virus (HCV) |
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 : Q9WMX2 |
Total number of polymer chains | 2 |
Total formula weight | 131056.82 |
Authors | Sheriff, S. (deposition date: 2016-10-26, release date: 2016-11-30, Last modification date: 2023-10-04) |
Primary citation | Parcella, K.,Nickel, A.,Beno, B.R.,Sheriff, S.,Wan, C.,Wang, Y.K.,Roberts, S.B.,Meanwell, N.A.,Kadow, J.F. Discovery and initial optimization of alkoxyanthranilic acid derivatives as inhibitors of HCV NS5B polymerase. Bioorg. Med. Chem. Lett., 27:295-298, 2017 Cited by PubMed: 27908764DOI: 10.1016/j.bmcl.2016.11.054 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.57 Å) |
Structure validation
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