5W5W

HIV Protease (PR) in open form with Mg2+ in active site and HIVE-9 in eye site

Summary for 5W5W

• Entry DOI: 10.2210/pdb5w5w/pdb
• Related: 5VCK 5VEA 5VJ3
• Related PRD ID: PRD_000434
• Descriptor: HIV-1 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-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}carbamoyl)benzene-1-sulfonamide, ... (5 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: 22966.06

Authors

Tiefenbrunn, T.,Stout, C.D. (deposition date: 2017-06-15, release date: 2018-06-20, 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 (3 Å)