3EKT

Crystal Structure of the inhibitor Darunavir (DRV) in complex with a multi-drug resistant HIV-1 protease variant (L10F/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation.)

Summary for 3EKT

• Entry DOI: 10.2210/pdb3ekt/pdb
• Related: 3EKP 3EKQ 3EKV 3EKW 3EKX 3EKY 3EL0 3EL1 3EL4 3EL5
• Descriptor: Protease, ACETATE ION, (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ... (5 entities in total)
• Functional Keywords: hiv-1, protease, multi-drug resistance, darunavir, aids, hydrolase
• Biological source: HIV-1 M:B_ARV2/SF2 (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 : P03369
• Total number of polymer chains: 4
• Total formula weight: 45305.69

Authors

Prabu-Jeyabalan, M.,King, N.M.,Bandaranayake, R.M. (deposition date: 2008-09-19, release date: 2009-09-01, Last modification date: 2024-02-21)

• Primary citation: King, N.M.,Prabu-Jeyabalan, M.,Bandaranayake, R.M.,Nalam, M.N.,Nalivaika, E.A.,Ozen, A.,Yilmaz, N.K.,Schiffer, C.A.; Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.; Acs Chem.Biol., 7:1536-1546, 2012; PubMed: 22712830; DOI: 10.1021/cb300191k

Experimental method

X-RAY DIFFRACTION (1.97 Å)