3TOF

HIV-1 Protease - Epoxydic Inhibitor Complex (pH 6 - Orthorombic Crystal form P212121)

Summary for 3TOF

Entry DOI	10.2210/pdb3tof/pdb
Related PRD ID	PRD_001017
Descriptor	Gag-Pol polyprotein, (S)-N-((1R,2S)-1-((2R,3R)-3-benzyloxiran-2-yl)-1-hydroxy-3-phenylpropan-2-yl)-3-methyl-2-(2-phenoxyacetamido)butanamide, ACETATE ION, ... (5 entities in total)
Functional Keywords	hiv pr, epoxide, in-crystal reaction, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus type 1 (BRU ISOLATE) (HIV-1)
Total number of polymer chains	2
Total formula weight	22272.34
Authors	Geremia, S.,Olajuyigbe, F.M.,Ajele, J.O.,Demitri, N.,Randaccio, L.,Wuerges, J.,Benedetti, L.,Campaner, P.,Berti, F. (deposition date: 2011-09-05, release date: 2012-08-15, Last modification date: 2023-09-13)
Primary citation	Olajuyigbe, F.M.,Demitri, N.,De Zorzi, R.,Geremia, S. Developing HIV-1 Protease Inhibitors through Stereospecific Reactions in Protein Crystals. Molecules, 21:-, 2016 Cited by PubMed: 27809253 DOI: 10.3390/molecules21111458 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.45 Å)

Structure validation