3I2L

Crystal structure of a chemically synthesized [allo-Ile50/50']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor

Summary for 3I2L

• Entry DOI: 10.2210/pdb3i2l/pdb
• Related: 3FSM 3HAU 3HAW 3HBO 3HDK 3HLO
• Related PRD ID: PRD_000398
• Descriptor: HIV-1 protease, N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide (3 entities in total)
• Functional Keywords: beta-sheet, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Total number of polymer chains: 2
• Total formula weight: 22292.23

Authors

Torbeev, V.Y.,Kent, S.B.H. (deposition date: 2009-06-29, release date: 2011-04-27, Last modification date: 2014-02-12)

• Primary citation: Torbeev, V.Y.,Kent, S.B.H.; Hydrogen bonds at the protein-inhibitor interface in the HIV-1 protease / inhibitors complexes probed by total chemical synthesis and X-ray crystallography; To be Published,

Experimental method

X-RAY DIFFRACTION (1.5 Å)