7LED

HIV-1 Protease WT (NL4-3) in Complex with PU4 (LR2-78)

Summary for 7LED

• Entry DOI: 10.2210/pdb7led/pdb
• Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate, ... (4 entities in total)
• Functional Keywords: hiv, nl4-3 protease, protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22612.59

Authors

Lockbaum, G.J.,Rusere, L.N.,Henes, M.,Kosovrasti, K.,Lee, S.K.,Spielvogel, E.,Nalivaika, E.A.,Swanstrom, R.,KurtYilmaz, N.,Schiffer, C.A.,Ali, A. (deposition date: 2021-01-14, release date: 2022-01-26, Last modification date: 2023-10-18)

• Primary citation: Lockbaum, G.J.,Rusere, L.N.,Henes, M.,Kosovrasti, K.,Lee, S.K.,Spielvogel, E.,Nalivaika, E.A.,Swanstrom, R.,KurtYilmaz, N.,Schiffer, C.A.,Ali, A.; HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.996 Å)