6PJ2

Crystal structure of HCV NS3/4A D168A protease in complex with P4-P5-4 (AJ-65)

Summary for 6PJ2

• Entry DOI: 10.2210/pdb6pj2/pdb
• Descriptor: NS3 protease, ZINC ION, (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl opentadecine-14a(5H)-carboxamide, ... (6 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: 24568.13

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; PubMed: 32234812; DOI: 10.1128/mBio.00172-20

Experimental method

X-RAY DIFFRACTION (2.1 Å)