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 Cited by PubMed: 20827746DOI: 10.1002/cmdc.201000318 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.27 Å) |
Structure validation
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