4I8Z

Crystal structure of wild type HIV-1 protease in complex with non-peptidic inhibitor, GRL008

Summary for 4I8Z

• Entry DOI: 10.2210/pdb4i8z/pdb
• Related: 4HLA 4I8W
• Descriptor: Protease, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-carbamoylphenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate (3 entities in total)
• Functional Keywords: hiv-1 protease, hiv-1 protease-inhibitor complex, hydrolase, grl008, non-peptidic inhibitor, protease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus type 1 (HIV-1)
• Cellular location: Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P0C6F2
• Total number of polymer chains: 2
• Total formula weight: 22183.19

Authors

Yedidi, R.S.,Palmer, I.,Das, D.,Wingfield, P.T.,Ghosh, A.K.,Mitsuya, H. (deposition date: 2012-12-04, release date: 2013-07-24, Last modification date: 2024-02-28)

• Primary citation: Yedidi, R.S.,Maeda, K.,Fyvie, W.S.,Steffey, M.,Davis, D.A.,Palmer, I.,Aoki, M.,Kaufman, J.D.,Stahl, S.J.,Garimella, H.,Das, D.,Wingfield, P.T.,Ghosh, A.K.,Mitsuya, H.; P2' benzene carboxylic acid moiety is associated with decrease in cellular uptake: evaluation of novel non-peptidic HIV-1 protease inhibitors containing P2 bis-tetrahydrofuran moiety.; Antimicrob.Agents Chemother., 57:4920-4927, 2013; PubMed: 23877703; DOI: 10.1128/AAC.00868-13

Experimental method

X-RAY DIFFRACTION (1.75 Å)