3CJ4
Crystal structure of hepatitis c virus rna-dependent rna polymerase ns5b in complex with optimized small molecule fragments
Summary for 3CJ4
Entry DOI | 10.2210/pdb3cj4/pdb |
Related | 3CIZ 3CJ0 3CJ2 3CJ3 3CJ5 |
Descriptor | RNA-directed RNA polymerase, NICKEL (II) ION, 4-[(4-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-1-yl]carbonyl}phenyl)amino]-4-oxobutanoic acid, ... (4 entities in total) |
Functional Keywords | drug discovery, hcv ns5b, fragment based, acetylation, apoptosis, atp-binding, capsid protein, cytoplasm, endoplasmic reticulum, envelope protein, fusion protein, glycoprotein, helicase, host-virus interaction, hydrolase, interferon antiviral system evasion, lipid droplet, lipoprotein, membrane, metal-binding, mitochondrion, multifunctional enzyme, nucleotide-binding, nucleotidyltransferase, nucleus, oncogene, palmitate, phosphoprotein, protease, ribonucleoprotein, rna replication, rna-binding, rna-directed rna polymerase, secreted, serine protease, sh3-binding, thiol protease, transcription, transcription regulation, transferase, transmembrane, ubl conjugation, viral nucleoprotein, virion, zinc |
Biological source | Hepatitis C virus subtype 1b |
Cellular location | Core protein p21: Host endoplasmic reticulum membrane; Single-pass membrane protein. 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 (By similarity). RNA-directed RNA polymerase: Host endoplasmic reticulum membrane; Single-pass type I membrane protein (Potential): P26663 |
Total number of polymer chains | 2 |
Total formula weight | 129293.27 |
Authors | Antonysamy, s.s. (deposition date: 2008-03-12, release date: 2008-04-15, Last modification date: 2024-02-21) |
Primary citation | Antonysamy, S.S.,Aubol, B.,Blaney, J.,Browner, M.F.,Giannetti, A.M.,Harris, S.F.,Hebert, N.,Hendle, J.,Hopkins, S.,Jefferson, E.,Kissinger, C.,Leveque, V.,Marciano, D.,McGee, E.,Najera, I.,Nolan, B.,Tomimoto, M.,Torres, E.,Wright, T. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg.Med.Chem.Lett., 18:2990-2995, 2008 Cited by PubMed: 18400495DOI: 10.1016/j.bmcl.2008.03.056 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.07 Å) |
Structure validation
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