4HLA

Crystal structure of wild type HIV-1 protease in complex with darunavir

Summary for 4HLA

• Entry DOI: 10.2210/pdb4hla/pdb
• Descriptor: Protease, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE (3 entities in total)
• Functional Keywords: darunavir, protease, hydrolase, gag, gag-pol, tmc114, uic-94017, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Human immunodeficiency virus type 1 (BRU ISOLATE) (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): P03367
• Total number of polymer chains: 2
• Total formula weight: 22155.18

Authors

Yedidi, R.S.,Garimella, H.,Palmer, I.,Das, D.,Wingfield, P.T.,Ghosh, A.K.,Mitsuya, H. (deposition date: 2012-10-16, 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 (1.95 Å)