3C6U

Crystal Structure of HIV Reverse Transcriptase in complex with inhibitor 22

Summary for 3C6U

• Entry DOI: 10.2210/pdb3c6u/pdb
• Related: 3C6T
• Descriptor: Reverse transcriptase, 3-chloro-5-[2-chloro-5-(1H-indazol-3-ylmethoxy)phenoxy]benzonitrile, ... (4 entities in total)
• Functional Keywords: hiv-1 reverse transcriptase, non-nucleoside inhibition, nucleotidyltrasferase, aids, aspartyl protease, capsid maturation, capsid protein, cytoplasm, dna integration, dna recombination, dna-directed dna polymerase, endonuclease, host-virus interaction, hydrolase, lipoprotein, magnesium, membrane, metal-binding, multifunctional enzyme, myristate, nuclease, nucleotidyltransferase, nucleus, phosphoprotein, protease, rna-binding, rna-directed dna polymerase, transferase, viral nucleoprotein, virion, zinc, zinc-finger
• Biological source: HIV-1 M:B_HXB2R; 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: 117036.99

Authors

Yan, Y.,Prasad, S. (deposition date: 2008-02-05, release date: 2008-04-22, Last modification date: 2023-08-30)

Primary citation

Tucker, T.J.,Saggar, S.,Sisko, J.T.,Tynebor, R.M.,Williams, T.M.,Felock, P.J.,Flynn, J.A.,Lai, M.T.,Liang, Y.,McGaughey, G.,Liu, M.,Miller, M.,Moyer, G.,Munshi, V.,Perlow-Poehnelt, R.,Prasad, S.,Sanchez, R.,Torrent, M.,Vacca, J.P.,Wan, B.L.,Yan, Y.
The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations.
Bioorg.Med.Chem.Lett., 18:2959-2966, 2008

PubMed Abstract: Using a combination of traditional Medicinal Chemistry/SAR analysis, crystallography, and molecular modeling, we have designed and synthesized a series of novel, highly potent NNRTIs that possess broad antiviral activity against a number of key clinical mutations.

PubMed: 18396399
DOI: 10.1016/j.bmcl.2008.03.064

Experimental method

X-RAY DIFFRACTION (2.7 Å)