5EQQ

Crystal structure of HCV NS3/4A WT protease in complex with 5172-Linear (MK-5172 linear analogue)

Summary for 5EQQ

Entry DOI	10.2210/pdb5eqq/pdb
Related	5EPN 5EPY 5EQR 5EQS 5ESB 5ETX
Descriptor	NS3 protease, SULFATE ION, ZINC ION, ... (5 entities in total)
Functional Keywords	macrocyclization, mk-5172 analogue, grazoprevir, hcv protease inhibitor resistance, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Hepatitis C virus
Total number of polymer chains	1
Total formula weight	20978.01
Authors	Soumana, D.,Yilmaz, N.K.,Ali, A.,Prachanronarong, K.L.,Aydin, C.,Schiffer, C.A. (deposition date: 2015-11-13, release date: 2016-01-13, Last modification date: 2024-03-06)
Primary citation	Soumana, D.I.,Kurt Yilmaz, N.,Prachanronarong, K.L.,Aydin, C.,Ali, A.,Schiffer, C.A. Structural and Thermodynamic Effects of Macrocyclization in HCV NS3/4A Inhibitor MK-5172. Acs Chem.Biol., 11:900-909, 2016 Cited by PubMed: 26682473 DOI: 10.1021/acschembio.5b00647 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.65 Å)

Structure validation