6PU8

Room temperature X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate of keto-darunavir

Summary for 6PU8

• Entry DOI: 10.2210/pdb6pu8/pdb
• Descriptor: HIV-1 protease, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3,3-dihydroxy-1-phenylbutan-2-yl]carbamate (3 entities in total)
• Functional Keywords: hiv-1 protease, aspartic protease, tetrahedral intermediate inhibitor, homodimer, hydrolase
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22073.07

Authors

Kovalevsky, A.,Das, A. (deposition date: 2019-07-17, release date: 2020-06-24, Last modification date: 2023-10-11)

• Primary citation: Kumar, M.,Mandal, K.,Blakeley, M.P.,Wymore, T.,Kent, S.B.H.,Louis, J.M.,Das, A.,Kovalevsky, A.; Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design.; Acs Omega, 5:11605-11617, 2020; PubMed: 32478251; DOI: 10.1021/acsomega.0c00835

Experimental method

X-RAY DIFFRACTION (1.8 Å)