3KA2

Crystal structure of chemically synthesized 203 amino acid 'covalent dimer' [L-Ala;Gly51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.4 A resolution

Summary for 3KA2

Entry DOI	10.2210/pdb3ka2/pdb
Related	3FSM 3GI0 3HAU 3HDK 3HLO 3IAW
Related PRD ID	PRD_000398
Descriptor	[L-Ala51;Gly51']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-barrel, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Total number of polymer chains	1
Total formula weight	22676.66
Authors	Torbeev, V.Y.,Kent, S.B.H. (deposition date: 2009-10-18, release date: 2011-04-27, Last modification date: 2023-11-22)
Primary citation	Torbeev, V.Y.,Raghuraman, H.,Hamelberg, D.,Tonelli, M.,Westler, W.M.,Perozo, E.,Kent, S.B. Protein conformational dynamics in the mechanism of HIV-1 protease catalysis. Proc.Natl.Acad.Sci.USA, 108:20982-20987, 2011 Cited by PubMed: 22158985 DOI: 10.1073/pnas.1111202108 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation