5EQS

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

Summary for 5EQS

Entry DOI	10.2210/pdb5eqs/pdb
Related	5EQQ 5EQR
Descriptor	NS3 protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION, ... (4 entities in total)
Functional Keywords	asunaprevir, 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	21116.65
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: 2023-09-27)
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 Cited by PubMed: 27512818 DOI: 10.1021/jacs.6b06454 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.839 Å)

Structure validation