3IRX

Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.

Summary for 3IRX

• Entry DOI: 10.2210/pdb3irx/pdb
• Related: 3IS9
• Descriptor: Reverse transcriptase/ribonuclease H, Reverse transcriptase, (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methy lbenzothioate (3 entities in total)
• Functional Keywords: nnrti, nonnucleoside inhibitor, aids, hiv, p51/p66, adam, aspartyl protease, cell membrane, cytoplasm, dna integration, dna recombination, dna-directed dna polymerase, endonuclease, hydrolase, lipoprotein, membrane, metal-binding, multifunctional enzyme, myristate, nuclease, nucleotidyltransferase, nucleus, phosphoprotein, protease, rna-binding, rna-directed dna polymerase, transferase, viral nucleoprotein, virion, zinc, zinc-finger, transferase-hydrolase complex, transferase/hydrolase
• Biological source: Human immunodeficiency virus type 1 BH10 (HIV-1); More
• 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): P03366 P03366
• Total number of polymer chains: 2
• Total formula weight: 114593.38

Authors

Ho, W.C.,Arnold, E. (deposition date: 2009-08-24, release date: 2010-04-07, Last modification date: 2023-09-06)

• Primary citation: Cullen, M.D.,Ho, W.C.,Bauman, J.D.,Das, K.,Arnold, E.,Hartman, T.L.,Watson, K.M.,Buckheit, R.W.,Pannecouque, C.,De Clercq, E.,Cushman, M.; Crystal Structure of HIV-1 reverse transcriptase (RT) in complex with the alkenyldiarylmethane (ADAM) Non-nucleoside RT Inhibitor (E)-S-Methyl 5-(1-(3,7-Dimethyl-2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate.; J.Med.Chem., 52:6467-6473, 2009; PubMed: 19775161; DOI: 10.1021/jm901167t

Experimental method

X-RAY DIFFRACTION (2.8 Å)