5VCK

HIV Protease (PR) with TL-3 in the active site and (Z)-N-(thiazol-2-yl)-N'-tosylcarbamimidate in the exosite

Summary for 5VCK

• Entry DOI: 10.2210/pdb5vck/pdb
• Related: 5TO9
• Related PRD ID: PRD_000434
• Descriptor: Protease, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, 4-methyl-N-(thiazol-2-ylcarbamoyl)benzenesulfonamide, ... (4 entities in total)
• Functional Keywords: protease, allostery, fragment binding, exosite, hydrolase
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 23167.45

Authors

Tiefenbrunn, T.,Stout, C.D. (deposition date: 2017-03-31, release date: 2018-04-18, Last modification date: 2023-10-04)

• Primary citation: Forli, S.,Tiefenbrunn, T.,Baksh, M.M.,Chang, M.W.,Perryman, A.,Garg, D.,Happer, M.,Lin, Y.-C.,Goodsell, D.,Angelina, E.L.,De Vera, I.,Kojetin, D.,Torbett, B.E.,Finn, M.G.,Elder, J.,Stout, C.D.,Olson, A.; Fragment-based campaign for the identification of potential exosite binders of HIV-1 Protease; to be published,

Experimental method

X-RAY DIFFRACTION (1.8 Å)