View source for 5wed


==Structure of bacterial type II NADH dehydrogenase from Caldalkalibacillus thermarum at 2.15A resolution==
<StructureSection load='5wed' size='340' side='right'caption='[[5wed]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[5wed]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Caldalkalibacillus_thermarum_TA2.A1 Caldalkalibacillus thermarum TA2.A1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5WED OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5WED FirstGlance]. <br>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.15&#8491;</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene></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=5wed FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5wed OCA], [https://pdbe.org/5wed PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5wed RCSB], [https://www.ebi.ac.uk/pdbsum/5wed PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5wed ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/F5L3B8_CALTT F5L3B8_CALTT] 
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
Type II NADH:quinone oxidoreductase (NDH-2) is a respiratory enzyme found in the electron-transport chain of many species, with the exception of mammals. It is a 40-70 kDa single-subunit monotopic membrane protein that catalyses the oxidation of NADH and the reduction of quinone molecules via the cofactor FAD. NDH-2 is a promising new target for drug development given its essential role in many bacterial species and intracellular parasites. Only two bacterial NDH-2 structures have been reported and these structures are at moderate resolution (2.3-2.5 A). In this communication, a new crystallization platform is reported that produced high-quality NDH-2 crystals that diffracted to high resolution (2.15 A). The high-resolution NDH-2 structure was used for in silico quinone substrate-docking studies to investigate the binding poses of menadione and ubiquinone molecules. These studies revealed that a very limited number of molecular interactions occur at the quinone-binding site of NDH-2. Given that the conformation of the active site is well defined, this high-resolution structure is potentially suitable for in silico inhibitor-compound screening and ligand-docking applications.

Crystal structure of type II NADH:quinone oxidoreductase from Caldalkalibacillus thermarum with an improved resolution of 2.15 A.,Nakatani Y, Jiao W, Aragao D, Shimaki Y, Petri J, Parker EJ, Cook GM Acta Crystallogr F Struct Biol Commun. 2017 Oct 1;73(Pt 10):541-549. doi:, 10.1107/S2053230X17013073. Epub 2017 Sep 23. PMID:28994401<ref>PMID:28994401</ref>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 5wed" style="background-color:#fffaf0;"></div>
== References ==
<references/>
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</StructureSection>
[[Category: Caldalkalibacillus thermarum TA2 A1]]
[[Category: Large Structures]]
[[Category: Aragao D]]
[[Category: Cook GM]]
[[Category: Nakatani Y]]