2FLE

Structural analysis of asymmetric inhibitor bound to the HIV-1 Protease V82A mutant

Summary for 2FLE

Entry DOI	10.2210/pdb2fle/pdb
Descriptor	pol protein, GLYCEROL, (2S,2'S)-N,N'-[(2S,3S,4S,5S)-1-CYCLOHEXYL-3,4-DIHYDROXY-6-PHENYLHEXANE-2,5-DIYL]BIS[3-METHYL-2-({[METHYL(PYRIDIN-2-YLMETHYL)AMINO]CARBONYL}AMINO)BUTANAMIDE], ... (4 entities in total)
Functional Keywords	hiv-1 protease, inhibitor, resistance, induced fit, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	22388.50
Authors	Clemente, J.C.,Robbins, A.,Dunn, B.M.,Sussman, F. (deposition date: 2006-01-05, release date: 2007-01-16, Last modification date: 2023-08-30)
Primary citation	Clemente, J.C.,Robbins, A.,Grana, P.,Paleo, M.R.,Correa, J.F.,Villaverde, M.C.,Sardina, F.J.,Govindasamy, L.,Agbandje-McKenna, M.,McKenna, R.,Dunn, B.M.,Sussman, F. Design, synthesis, evaluation, and crystallographic-based structural studies of HIV-1 protease inhibitors with reduced response to the V82A mutation. J.Med.Chem., 51:852-860, 2008 Cited by PubMed: 18215016 DOI: 10.1021/jm701170f PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation