5EQR

Crystal structure of a genotype 1a/3a chimeric HCV NS3/4A protease in complex with danoprevir

Summary for 5EQR

• Entry DOI: 10.2210/pdb5eqr/pdb
• Related: 5EQQ 5EQS
• Descriptor: NS3 protease, (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)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-2-yl 4-fluoro-2H-isoindole-2-carboxylate, ZINC ION, ... (5 entities in total)
• Functional Keywords: danoprevir, drug resistance, hcv protease inhibitor, genotype 3, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Hepatitis C virus
• Total number of polymer chains: 1
• Total formula weight: 21866.05

Authors

Soumana, D.,Yilmaz, N.K.,Ali, A.,Prachanronarong, K.L.,Schiffer, C.A. (deposition date: 2015-11-13, release date: 2016-11-23, Last modification date: 2024-03-06)

• Primary citation: Soumana, D.I.,Kurt Yilmaz, N.,Ali, A.,Prachanronarong, K.L.,Schiffer, C.A.; Molecular and Dynamic Mechanism Underlying Drug Resistance in Genotype 3 Hepatitis C NS3/4A Protease.; J.Am.Chem.Soc., 138:11850-11859, 2016; PubMed: 27512818; DOI: 10.1021/jacs.6b06454

Experimental method

X-RAY DIFFRACTION (1.96 Å)