4QGI

X-ray crystal structure of HIV-1 protease variant G48T/L89M in complex with Saquinavir

Summary for 4QGI

• Entry DOI: 10.2210/pdb4qgi/pdb
• Related PRD ID: PRD_000454
• Descriptor: Protease, (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, GLYCEROL, ... (4 entities in total)
• Functional Keywords: saquinavir, hiv protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus type 1 lw12.3 isolate (HIV-1)
• 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 : P0C6F2
• Total number of polymer chains: 2
• Total formula weight: 22494.63

Authors

Mahon, B.P.,McKenna, R.,Goldfarb, N. (deposition date: 2014-05-22, release date: 2014-07-16, Last modification date: 2024-02-28)

• Primary citation: Goldfarb, N.E.,Ohanessian, M.,Biswas, S.,McGee, T.D.,Mahon, B.P.,Ostrov, D.A.,Garcia, J.,Tang, Y.,McKenna, R.,Roitberg, A.,Dunn, B.M.; Defective Hydrophobic Sliding Mechanism and Active Site Expansion in HIV-1 Protease Drug Resistant Variant Gly48Thr/Leu89Met: Mechanisms for the Loss of Saquinavir Binding Potency.; Biochemistry, 54:422-433, 2015; PubMed: 25513833; DOI: 10.1021/bi501088e

Experimental method

X-RAY DIFFRACTION (1.896 Å)