6PIU
Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-6 (NR03-68)
Summary for 6PIU
Entry DOI | 10.2210/pdb6piu/pdb |
Descriptor | NS3 protease, ZINC ION, methyl [(1S)-1-cyclohexyl-2-{[(2R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-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]amino}-2-oxoethyl]carbamate, ... (5 entities in total) |
Functional Keywords | ns3/4a protease, hepatitis c virus, drug resistance, protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase, hydrolase/hydrolase inhibitor |
Biological source | Hepacivirus C |
Total number of polymer chains | 1 |
Total formula weight | 24514.11 |
Authors | Zephyr, J.,Schiffer, C.A. (deposition date: 2019-06-27, release date: 2020-03-04, Last modification date: 2023-10-11) |
Primary citation | Matthew, A.N.,Zephyr, J.,Nageswara Rao, D.,Henes, M.,Kamran, W.,Kosovrasti, K.,Hedger, A.K.,Lockbaum, G.J.,Timm, J.,Ali, A.,Kurt Yilmaz, N.,Schiffer, C.A. Avoiding Drug Resistance by Substrate Envelope-Guided Design: Toward Potent and Robust HCV NS3/4A Protease Inhibitors. Mbio, 11:-, 2020 Cited by PubMed: 32234812DOI: 10.1128/mBio.00172-20 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.28 Å) |
Structure validation
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