3OK9

Crystal structure of wild-type HIV-1 protease with new oxatricyclic designed inhibitor GRL-0519A

Summary for 3OK9

• Entry DOI: 10.2210/pdb3ok9/pdb
• Related: 2IEN
• Descriptor: Protease, (3R,3aS,3bR,6aS,7aS)-octahydrodifuro[2,3-b:3',2'-d]furan-3-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, SODIUM ION, ... (6 entities in total)
• Functional Keywords: aspartic acid protease, hiv-1 protease inhibitor grl-0519a, oxatricyclic ligands, multidrug-resistant hiv strains, wild-type hiv-1 protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus 1 (HIV)
• Cellular location: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P03366
• Total number of polymer chains: 2
• Total formula weight: 22528.95

Authors

Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2010-08-24, release date: 2010-09-22, Last modification date: 2023-09-06)

• Primary citation: Ghosh, A.K.,Xu, C.X.,Rao, K.V.,Baldridge, A.,Agniswamy, J.,Wang, Y.F.,Weber, I.T.,Aoki, M.,Miguel, S.G.,Amano, M.,Mitsuya, H.; Probing Multidrug-Resistance and Protein-Ligand Interactions with Oxatricyclic Designed Ligands in HIV-1 Protease Inhibitors.; Chemmedchem, 5:1850-1854, 2010; PubMed: 20827746; DOI: 10.1002/cmdc.201000318

Experimental method

X-RAY DIFFRACTION (1.27 Å)