4TVH
HIV Protease (PR) dimer in closed form with TL-3 in active site and fragment AK-2097 in the outside/top of flap
Summary for 4TVH
Entry DOI | 10.2210/pdb4tvh/pdb |
Related | 4TVG |
Related PRD ID | PRD_000434 |
Descriptor | Protease, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate, BETA-MERCAPTOETHANOL, ... (5 entities in total) |
Functional Keywords | hiv protease, allostery, fragment binding, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Human immunodeficiency virus 1 |
Total number of polymer chains | 2 |
Total formula weight | 22911.16 |
Authors | Tiefenbrunn, T.,Kislukhin, A.,Finn, M.G.,Stout, C.D. (deposition date: 2014-06-26, release date: 2014-09-17, Last modification date: 2023-09-27) |
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: 25189630DOI: 10.1021/jp506376z PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.195 Å) |
Structure validation
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