3SUF

Crystal structure of NS3/4A protease variant D168A in complex with MK-5172

Summary for 3SUF

• Entry DOI: 10.2210/pdb3suf/pdb
• Related: 3SU3 3SU4 3SU5 3SU6 3SUD 3SUE 3SUG 3SV6 3SV7 3SV8 3SV9
• Descriptor: NS3 protease, NS4A protein, (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, ZINC ION, ... (5 entities in total)
• Functional Keywords: drug resistance, drug design, protease inhibitors, hcv, serine protease, viral protein, hydrolase-inhibitor complex, hydrolase/inhibitor
• Biological source: Hepatitis C virus; More
• Total number of polymer chains: 4
• Total formula weight: 89326.85

Authors

Schiffer, C.A.,Romano, K.P. (deposition date: 2011-07-11, release date: 2012-09-19, Last modification date: 2024-02-28)

• Primary citation: Romano, K.P.,Ali, A.,Aydin, C.,Soumana, D.,Ozen, A.,Deveau, L.M.,Silver, C.,Cao, H.,Newton, A.,Petropoulos, C.J.,Huang, W.,Schiffer, C.A.; The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.; Plos Pathog., 8:e1002832-e1002832, 2012; PubMed: 22910833; DOI: 10.1371/journal.ppat.1002832

Experimental method

X-RAY DIFFRACTION (2.19 Å)