6PTP

Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1

Summary for 6PTP

• Entry DOI: 10.2210/pdb6ptp/pdb
• Descriptor: HIV-1 Protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide (3 entities in total)
• Functional Keywords: hiv-1 protease, aspartic protease, homodimer, hydrolase
• Biological source: Human immunodeficiency virus 1
• Total number of polymer chains: 2
• Total formula weight: 22310.39

Authors

Kovalevsky, A.,Das, A. (deposition date: 2019-07-16, release date: 2020-06-10, Last modification date: 2023-10-25)

• 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

NEUTRON DIFFRACTION (2.2 Å)
X-RAY DIFFRACTION (1.85 Å)