1vrw: Difference between revisions
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'''Crystal structure analysis of plasmodium falciparum enoyl-acyl-carrier-protein reductase with nadh''' | '''Crystal structure analysis of plasmodium falciparum enoyl-acyl-carrier-protein reductase with nadh''' | ||
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==About this Structure== | ==About this Structure== | ||
1VRW is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. This structure supersedes the now removed PDB entry | 1VRW is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=1nhd 1nhd]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1VRW OCA]. | ||
==Reference== | ==Reference== | ||
Structural elucidation of the specificity of the antibacterial agent triclosan for malarial enoyl acyl carrier protein reductase., Perozzo R, Kuo M, Sidhu AS, Valiyaveettil JT, Bittman R, Jacobs WR Jr, Fidock DA, Sacchettini JC, J Biol Chem. 2002 Apr 12;277(15):13106-14. Epub 2002 Jan 15. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11792710 11792710] | Structural elucidation of the specificity of the antibacterial agent triclosan for malarial enoyl acyl carrier protein reductase., Perozzo R, Kuo M, Sidhu AS, Valiyaveettil JT, Bittman R, Jacobs WR Jr, Fidock DA, Sacchettini JC, J Biol Chem. 2002 Apr 12;277(15):13106-14. Epub 2002 Jan 15. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/11792710 11792710] | ||
[[Category: Plasmodium falciparum]] | [[Category: Plasmodium falciparum]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: Sidhu, A S.]] | [[Category: Sidhu, A S.]] | ||
[[Category: Valiyaveettil, J T.]] | [[Category: Valiyaveettil, J T.]] | ||
[[Category: | [[Category: Nadh]] | ||
[[Category: | [[Category: Rossmann fold]] | ||
[[Category: | [[Category: Short chain dehydrogenase reductase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 12:50:55 2008'' | |||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | |||
Revision as of 12:50, 3 May 2008
Crystal structure analysis of plasmodium falciparum enoyl-acyl-carrier-protein reductase with nadh
OverviewOverview
The human malaria parasite Plasmodium falciparum synthesizes fatty acids using a type II pathway that is absent in humans. The final step in fatty acid elongation is catalyzed by enoyl acyl carrier protein reductase, a validated antimicrobial drug target. Here, we report the cloning and expression of the P. falciparum enoyl acyl carrier protein reductase gene, which encodes a 50-kDa protein (PfENR) predicted to target to the unique parasite apicoplast. Purified PfENR was crystallized, and its structure resolved as a binary complex with NADH, a ternary complex with triclosan and NAD(+), and as ternary complexes bound to the triclosan analogs 1 and 2 with NADH. Novel structural features were identified in the PfENR binding loop region that most closely resembled bacterial homologs; elsewhere the protein was similar to ENR from the plant Brassica napus (root mean square for Calphas, 0.30 A). Triclosan and its analogs 1 and 2 killed multidrug-resistant strains of intra-erythrocytic P. falciparum parasites at sub to low micromolar concentrations in vitro. These data define the structural basis of triclosan binding to PfENR and will facilitate structure-based optimization of PfENR inhibitors.
About this StructureAbout this Structure
1VRW is a Single protein structure of sequence from Plasmodium falciparum. This structure supersedes the now removed PDB entry 1nhd. Full crystallographic information is available from OCA.
ReferenceReference
Structural elucidation of the specificity of the antibacterial agent triclosan for malarial enoyl acyl carrier protein reductase., Perozzo R, Kuo M, Sidhu AS, Valiyaveettil JT, Bittman R, Jacobs WR Jr, Fidock DA, Sacchettini JC, J Biol Chem. 2002 Apr 12;277(15):13106-14. Epub 2002 Jan 15. PMID:11792710 Page seeded by OCA on Sat May 3 12:50:55 2008