2RKI

Crystal Structure of HIV-1 Reverse Transcriptase (RT) in Complex with a triazole derived NNRTI

Summary for 2RKI

• Entry DOI: 10.2210/pdb2rki/pdb
• Descriptor: HIV-1 reverse transcriptase (RT) p66, HIV-1 reverse transcriptase (RT) p51, 4-benzyl-3-[(2-chlorobenzyl)sulfanyl]-5-thiophen-2-yl-4H-1,2,4-triazole, ... (8 entities in total)
• Functional Keywords: hiv-1, reverse transcriptase, rt, non-nucleoside reverse transcriptase inhibitor, nnrti, rnase h, polymerase, virus, aids, aspartyl protease, capsid maturation, core protein, dna integration, dna recombination, dna-directed dna polymerase, endonuclease, host-virus interaction, hydrolase, lipoprotein, magnesium, membrane, metal-binding, multifunctional enzyme, myristate, nuclease, nucleotidyltransferase, nucleus, phosphorylation, protease, rna-binding, rna-directed dna polymerase, transferase, viral nucleoprotein, virion, zinc-finger
• Biological source: Human immunodeficiency virus 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): P04585 P04585
• Total number of polymer chains: 2
• Total formula weight: 117133.92

Authors

Lansdon, E.B.,Kirschberg, T.A. (deposition date: 2007-10-16, release date: 2008-04-22, Last modification date: 2023-08-30)

Primary citation

Kirschberg, T.A.,Balakrishnan, M.,Huang, W.,Hluhanich, R.,Kutty, N.,Liclican, A.C.,McColl, D.J.,Squires, N.H.,Lansdon, E.B.
Triazole derivatives as non-nucleoside inhibitors of HIV-1 reverse transcriptase-structure-activity relationships and crystallographic analysis.
Bioorg.Med.Chem.Lett., 18:1131-1134, 2008

PubMed Abstract: A series of 3,4,5-trisubstituted 1,2,4-4H triazole derivatives was synthesized and investigated for HIV-1 reverse transcriptase inhibition. An X-ray structure with HIV-1 RT secured the binding mode and allowed the key interactions with the enzyme to be identified.

PubMed: 18083512
DOI: 10.1016/j.bmcl.2007.11.127

Experimental method

X-RAY DIFFRACTION (2.3 Å)