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4zxu

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==2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289==
==2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289==
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<StructureSection load='4zxu' size='340' side='right' caption='[[4zxu]], [[Resolution|resolution]] 2.85&Aring;' scene=''>
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<StructureSection load='4zxu' size='340' side='right'caption='[[4zxu]], [[Resolution|resolution]] 2.85&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4zxu]] is a 8 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ZXU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4ZXU FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4zxu]] is a 8 chain structure with sequence from [https://en.wikipedia.org/wiki/Staphylococcus_aureus_subsp._aureus_COL Staphylococcus aureus subsp. aureus COL]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4ZXU OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4ZXU FirstGlance]. <br>
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</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=SO4:SULFATE+ION'>SO4</scene></td></tr>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.85&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4mpb|4mpb]], [[4mpy|4mpy]], [[4nea|4nea]], [[4nu9|4nu9]], [[4qto|4qto]], [[4qn2|4qn2]], [[4q92|4q92]], [[4qje|4qje]], [[4zwl|4zwl]]</td></tr>
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<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=SO4:SULFATE+ION'>SO4</scene></td></tr>
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<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Betaine-aldehyde_dehydrogenase Betaine-aldehyde dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.1.8 1.2.1.8] </span></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4zxu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4zxu OCA], [https://pdbe.org/4zxu PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4zxu RCSB], [https://www.ebi.ac.uk/pdbsum/4zxu PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4zxu ProSAT]</span></td></tr>
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<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=4zxu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4zxu OCA], [http://pdbe.org/4zxu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4zxu RCSB], [http://www.ebi.ac.uk/pdbsum/4zxu PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4zxu ProSAT]</span></td></tr>
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</table>
</table>
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<div style="background-color:#fffaf0;">
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== Function ==
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== Publication Abstract from PubMed ==
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[https://www.uniprot.org/uniprot/A0A0M3KL41_STAAC A0A0M3KL41_STAAC]
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When exposed to high osmolarity, methicillin-resistant Staphylococcus aureus (MRSA) restores its growth and establishes a new steady state by accumulating the osmoprotectant metabolite betaine. Effective osmoregulation has also been implicated in the acquirement of a profound antibiotic resistance by MRSA. Betaine can be obtained from the bacterial habitat or produced intracellularly from choline via the toxic betaine aldehyde (BA) employing the choline dehydrogenase and betaine aldehyde dehydrogenase (BADH) enzymes. Here, it is shown that the putative betaine aldehyde dehydrogenase SACOL2628 from the early MRSA isolate COL (SaBADH) utilizes betaine aldehyde as the primary substrate and nicotinamide adenine dinucleotide (NAD(+)) as the cofactor. Surface plasmon resonance experiments revealed that the affinity of NAD(+), NADH and BA for SaBADH is affected by temperature, pH and buffer composition. Five crystal structures of the wild type and three structures of the Gly234Ser mutant of SaBADH in the apo and holo forms provide details of the molecular mechanisms of activity and substrate specificity/inhibition of this enzyme.
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Structural and functional analysis of betaine aldehyde dehydrogenase from Staphylococcus aureus.,Halavaty AS, Rich RL, Chen C, Joo JC, Minasov G, Dubrovska I, Winsor JR, Myszka DG, Duban M, Shuvalova L, Yakunin AF, Anderson WF Acta Crystallogr D Biol Crystallogr. 2015 May;71(Pt 5):1159-75. doi:, 10.1107/S1399004715004228. Epub 2015 Apr 25. PMID:25945581<ref>PMID:25945581</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 4zxu" style="background-color:#fffaf0;"></div>
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==See Also==
==See Also==
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*[[Aldehyde dehydrogenase|Aldehyde dehydrogenase]]
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*[[Aldehyde dehydrogenase 3D structures|Aldehyde dehydrogenase 3D structures]]
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== References ==
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<references/>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Betaine-aldehyde dehydrogenase]]
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[[Category: Large Structures]]
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[[Category: Anderson, W F]]
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[[Category: Staphylococcus aureus subsp. aureus COL]]
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[[Category: Structural genomic]]
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[[Category: Anderson WF]]
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[[Category: Chen, C]]
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[[Category: Chen C]]
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[[Category: Halavaty, A S]]
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[[Category: Halavaty AS]]
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[[Category: Joo, J C]]
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[[Category: Joo JC]]
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[[Category: Minasov, G]]
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[[Category: Minasov G]]
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[[Category: Yakunin, A F]]
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[[Category: Yakunin AF]]
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[[Category: Betaine aldehyde dehydrogenase]]
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[[Category: Csgid]]
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[[Category: Nad]]
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[[Category: National institute of allergy and infectious disease]]
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[[Category: Niaid]]
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[[Category: Oxidoreductase]]
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[[Category: Rossmann fold]]
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Current revision

2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289

PDB ID 4zxu

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