3D5M
Crystal structure of HCV NS5B polymerase with a novel pyridazinone inhibitor
Summary for 3D5M
Entry DOI | 10.2210/pdb3d5m/pdb |
Related | 3D28 |
Descriptor | RNA-directed RNA polymerase, N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis othiazol-7-yl}methyl)methanesulfonamide (3 entities in total) |
Functional Keywords | protein-ligand complex, rna polymerase, rna replication, rna-binding, transcription, nucleotidyltransferase, hydrolase, transferase |
Biological source | Hepatitis C virus (isolate BK) |
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 | 129831.58 |
Authors | Zhao, Q.,Showalter, R.E.,Han, Q.,Kissinger, C.R. (deposition date: 2008-05-16, release date: 2009-05-19, Last modification date: 2024-04-03) |
Primary citation | Kim, S.H.,Tran, M.T.,Ruebsam, F.,Xiang, A.X.,Ayida, B.,McGuire, H.,Ellis, D.,Blazel, J.,Tran, C.V.,Murphy, D.E.,Webber, S.E.,Zhou, Y.,Shah, A.M.,Tsan, M.,Showalter, R.E.,Patel, R.,Gobbi, A.,LeBrun, L.A.,Bartkowski, D.M.,Nolan, T.G.,Norris, D.A.,Sergeeva, M.V.,Kirkovsky, L.,Zhao, Q.,Han, Q.,Kissinger, C.R. Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase. Bioorg.Med.Chem.Lett., 18:4181-4185, 2008 Cited by PubMed: 18554907DOI: 10.1016/j.bmcl.2008.05.083 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.2 Å) |
Structure validation
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