2HS2

Crystal structure of M46L mutant of HIV-1 protease complexed with TMC114 (darunavir)

Summary for 2HS2

• Entry DOI: 10.2210/pdb2hs2/pdb
• Related: 2HS1
• Descriptor: protease, CHLORIDE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ... (5 entities in total)
• Functional Keywords: aspartic protease active site surface binding site, hydrolase
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22689.65

Authors

Weber, I.T.,Kovalevsky, A.Y.,Liu, F. (deposition date: 2006-07-20, release date: 2006-10-03, Last modification date: 2024-02-14)

• Primary citation: Kovalevsky, A.Y.,Liu, F.,Leshchenko, S.,Ghosh, A.K.,Louis, J.M.,Harrison, R.W.,Weber, I.T.; Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114.; J.Mol.Biol., 363:161-173, 2006; PubMed: 16962136; DOI: 10.1016/j.jmb.2006.08.007

Experimental method

X-RAY DIFFRACTION (1.22 Å)