5VP9
Crystal structure of HCV NS3/4A protease in complex with AM-07, an analogue of 5172-mcP1P3
Summary for 5VP9
Entry DOI | 10.2210/pdb5vp9/pdb |
Related | 5VOJ |
Descriptor | NS4A cofactor -- NS3 protein chimera, tert-butyl [(2R,6S,12Z,13aS,14aR,16aS)-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-2-{[3-(thiophen-2-yl)quinoxalin-2-yl]oxy}-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate, SULFATE ION, ... (5 entities in total) |
Functional Keywords | ns3/4a protease, hepatitis c virus, drug resistance, protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Hepatitis C virus subtype 1a More |
Cellular location | Virion : A8DG50 |
Total number of polymer chains | 1 |
Total formula weight | 22443.74 |
Authors | Matthew, A.N.,Schiffer, C.A. (deposition date: 2017-05-04, release date: 2017-06-21, Last modification date: 2023-10-04) |
Primary citation | Matthew, A.N.,Zephyr, J.,Hill, C.J.,Jahangir, M.,Newton, A.,Petropoulos, C.J.,Huang, W.,Kurt-Yilmaz, N.,Schiffer, C.A.,Ali, A. Hepatitis C Virus NS3/4A Protease Inhibitors Incorporating Flexible P2 Quinoxalines Target Drug Resistant Viral Variants. J. Med. Chem., 60:5699-5716, 2017 Cited by PubMed: 28594175DOI: 10.1021/acs.jmedchem.7b00426 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.859 Å) |
Structure validation
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