3EL5

Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease

Summary for 3EL5

• Entry DOI: 10.2210/pdb3el5/pdb
• Related: 3EKP 3EKQ 3EKT 3EKV 3EKW 3EKX 3EKY 3EL0 3EL4
• Descriptor: Protease, ACETATE ION, 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ... (4 entities in total)
• Functional Keywords: protease inhibitor, drug resistance, nelfinavir, hiv-1 protease, entropy-enthalpy compensation, 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: 2
• Total formula weight: 22880.77

Authors

King, N.,Prabu-Jeyabalan, M.,Schiffer, C. (deposition date: 2008-09-20, release date: 2009-09-01, Last modification date: 2023-08-30)

• 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 (1.6 Å)