4TVG

HIV Protease (PR) dimer in closed form with pepstatin in active site and fragment AK-2097 in the outside/top of flap

Summary for 4TVG

Entry DOI	10.2210/pdb4tvg/pdb
Related	4TVH
Related PRD ID	PRD_000557
Descriptor	HIV Protease, Pepstatin, 3-(morpholin-4-ylmethyl)-1H-indole-6-carboxylic acid, ... (5 entities in total)
Functional Keywords	apo protease, allostery, fragment binding, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus 1 More
Total number of polymer chains	3
Total formula weight	22701.94
Authors	Tiefenbrunn, T.,Kislukhin, A.,Finn, M.G.,Stout, C.D. (deposition date: 2014-06-26, release date: 2014-09-24, Last modification date: 2023-11-15)
Primary citation	Deng, N.,Forli, S.,He, P.,Perryman, A.,Wickstrom, L.,Vijayan, R.S.,Tiefenbrunn, T.,Stout, D.,Gallicchio, E.,Olson, A.J.,Levy, R.M. Distinguishing Binders from False Positives by Free Energy Calculations: Fragment Screening Against the Flap Site of HIV Protease. J.Phys.Chem.B, 119:976-988, 2015 Cited by PubMed: 25189630 DOI: 10.1021/jp506376z PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.18 Å)

Structure validation