4DRU
HCV NS5B in complex with macrocyclic INDOLE INHIBITOR
Summary for 4DRU
Entry DOI | 10.2210/pdb4dru/pdb |
Descriptor | RNA-directed RNA polymerase, 13-cyclohexyl-3-methoxy-17,22-dimethyl-7H-10,6-(methanoiminothioiminobutanoiminomethano)indolo[2,1-a][2]benzazepine-14,23-dione 16,16-dioxide, SULFATE ION, ... (5 entities in total) |
Functional Keywords | hcv polymerase, macrocycle inhibitor, thumb domain, transferase-inhibitor complex, transferase/inhibitor |
Biological source | Hepatitis C virus (HCV) |
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 (By similarity). RNA-directed RNA polymerase: Host endoplasmic reticulum membrane; Single-pass type I membrane protein (Potential): O92972 |
Total number of polymer chains | 2 |
Total formula weight | 127909.78 |
Authors | Cummings, M.D.,Vendeville, S. (deposition date: 2012-02-17, release date: 2012-04-18, Last modification date: 2024-02-28) |
Primary citation | Cummings, M.D.,Lin, T.I.,Hu, L.,Tahri, A.,McGowan, D.,Amssoms, K.,Last, S.,Devogelaere, B.,Rouan, M.C.,Vijgen, L.,Berke, J.M.,Dehertogh, P.,Fransen, E.,Cleiren, E.,van der Helm, L.,Fanning, G.,Van Emelen, K.,Nyanguile, O.,Simmen, K.,Raboisson, P.,Vendeville, S. Structure-based macrocyclization yields hepatitis C virus NS5B inhibitors with improved binding affinities and pharmacokinetic properties. Angew.Chem.Int.Ed.Engl., 51:4637-4640, 2012 Cited by PubMed: 22473861DOI: 10.1002/anie.201200110 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.1 Å) |
Structure validation
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