6DIS

Crystal structure of HCV NS3/4A protease in complex with P4-1 (AJ-71)

Summary for 6DIS

• Entry DOI: 10.2210/pdb6dis/pdb
• Descriptor: NS3 protease, 1,1,1-trifluoro-2-methylpropan-2-yl [(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]carbamate, SULFATE ION, ... (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: 22525.63

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 (1.921 Å)