5EPY

Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-mcP1P3 (MK-5172 P1-P3 macrocyclic analogue)

Summary for 5EPY

• Entry DOI: 10.2210/pdb5epy/pdb
• Related: 5EPN
• Descriptor: NS3 protease, ZINC ION, SULFATE ION, ... (5 entities in total)
• Functional Keywords: grazoprevir analogue, macrocycle, drug resistance, hcv protease inhibitor, mk-5172, hydrolase
• Biological source: Hepatitis C virus
• Total number of polymer chains: 1
• Total formula weight: 21948.20

Authors

Soumana, D.I.,Yilmaz, N.K.,Ali, A.,Prachanronarong, K.L.,Aydin, C.,Schiffer, C.A. (deposition date: 2015-11-12, release date: 2016-01-13, Last modification date: 2023-09-27)

• 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; PubMed: 26682473; DOI: 10.1021/acschembio.5b00647

Experimental method

X-RAY DIFFRACTION (2.3 Å)