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: 26682473DOI: 10.1021/acschembio.5b00647 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.65 Å) |
Structure validation
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