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==CRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL-ACYL-CARRIER-PROTEIN REDUCTASE WITH TRICLOSAN==
==CRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL-ACYL-CARRIER-PROTEIN REDUCTASE WITH TRICLOSAN==
<StructureSection load='1nhg' size='340' side='right' caption='[[1nhg]], [[Resolution|resolution]] 2.43&Aring;' scene=''>
<StructureSection load='1nhg' size='340' side='right'caption='[[1nhg]], [[Resolution|resolution]] 2.43&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[1nhg]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Plafa Plafa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NHG OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1NHG FirstGlance]. <br>
<table><tr><td colspan='2'>[[1nhg]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Plasmodium_falciparum Plasmodium falciparum]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1NHG OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1NHG FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=TCL:TRICLOSAN'>TCL</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.43&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1nhd|1nhd]], [[1nhw|1nhw]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=TCL:TRICLOSAN'>TCL</scene></td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Enoyl-[acyl-carrier-protein]_reductase_(NADH) Enoyl-[acyl-carrier-protein] reductase (NADH)], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.3.1.9 1.3.1.9] </span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1nhg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1nhg OCA], [https://pdbe.org/1nhg PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1nhg RCSB], [https://www.ebi.ac.uk/pdbsum/1nhg PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1nhg ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1nhg FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1nhg OCA], [http://pdbe.org/1nhg PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1nhg RCSB], [http://www.ebi.ac.uk/pdbsum/1nhg PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1nhg ProSAT]</span></td></tr>
</table>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q9BH77_PLAFA Q9BH77_PLAFA]
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1nhg ConSurf].
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1nhg ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
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.


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<ref>PMID:11792710</ref>
==See Also==
 
*[[Enoyl-Acyl-Carrier Protein Reductase 3D structures|Enoyl-Acyl-Carrier Protein Reductase 3D structures]]
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1nhg" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Plafa]]
[[Category: Large Structures]]
[[Category: Bittman, R]]
[[Category: Plasmodium falciparum]]
[[Category: Fidock, D A]]
[[Category: Bittman R]]
[[Category: Jacobs, W R]]
[[Category: Fidock DA]]
[[Category: Kuo, M]]
[[Category: Jacobs Jr WR]]
[[Category: Perozzo, R]]
[[Category: Kuo M]]
[[Category: Sacchettini, J C]]
[[Category: Perozzo R]]
[[Category: Sidhu, A S]]
[[Category: Sacchettini JC]]
[[Category: Valiyaveettil, J T]]
[[Category: Sidhu AS]]
[[Category: Nadh]]
[[Category: Valiyaveettil JT]]
[[Category: Oxidoreductase]]
[[Category: Rossmann fold]]
[[Category: Short chain dehydrogenase reductase]]

Latest revision as of 10:56, 14 February 2024

CRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL-ACYL-CARRIER-PROTEIN REDUCTASE WITH TRICLOSANCRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL-ACYL-CARRIER-PROTEIN REDUCTASE WITH TRICLOSAN

Structural highlights

1nhg is a 4 chain structure with sequence from Plasmodium falciparum. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.43Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q9BH77_PLAFA

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

1nhg, resolution 2.43Å

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