3EKX

Crystal structure of the wild-type HIV-1 protease with the inhibitor, Nelfinavir

Summary for 3EKX

• Entry DOI: 10.2210/pdb3ekx/pdb
• Related: 3EKP 3EKQ 3EKT 3EKV 3EKW 3EKY 3EL0 3EL1 3EL4 3EL5
• Descriptor: Protease, 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, ... (4 entities in total)
• Functional Keywords: hiv protease, protease inhibitors, drug resistance, amprenavir, aids, protease, 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: 22258.41

Authors

Schiffer, C.A.,Nalam, M.N.L. (deposition date: 2008-09-19, 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 (1.97 Å)