6DIR

Crystal structure of HCV NS3/4A protease in complex with P4-P5-2 (AJ-67)

Summary for 6DIR

• Entry DOI: 10.2210/pdb6dir/pdb
• Descriptor: NS3 protease, (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-3-methyl-L-valyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methyl cyclopropyl)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]diaz acyclopentadecine-14a(5H)-carboxamide, SULFATE ION, ... (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: 22242.51

Authors

Matthew, A.N.,Schiffer, C.A. (deposition date: 2018-05-23, release date: 2019-07-31, Last modification date: 2023-10-11)

• Primary citation: Matthew, A.N.,Schiffer, C.A.; Design of Hepatitis C NS3/4A Protease Inhibitors Leveraging Untapped Regions of the Substrate Envelope; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.751 Å)