4WH8

Crystal Structure of HCV NS3/4A protease in complex with an Asunaprevir P1-P3 macrocyclic analog.

Summary for 4WH8

Entry DOI	10.2210/pdb4wh8/pdb
Related	4WF8 4WH6
Descriptor	Genome polyprotein, tert-butyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-14a-[(cyclopropanesulfonyl)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, ... (5 entities in total)
Functional Keywords	hcv drug resistance, protease-inhibitor complex, asunaprevir, macrocycle, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Hepatitis C virus subtype 1a
Total number of polymer chains	2
Total formula weight	43879.29
Authors	Soumana, D.I.,Ali, A.,Schiffer, C.A. (deposition date: 2014-09-20, release date: 2014-10-15, Last modification date: 2022-10-26)
Primary citation	Soumana, D.I.,Ali, A.,Schiffer, C.A. Structural Analysis of Asunaprevir Resistance in HCV NS3/4A Protease. Acs Chem.Biol., 9:2485-2490, 2014 Cited by PubMed: 25243902 DOI: 10.1021/cb5006118 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.703 Å)

Structure validation