5eyu: Difference between revisions

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-'''Unreleased structure'''
+==1.72 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289==
+<StructureSection load='5eyu' size='340' side='right' caption='[[5eyu]], [[Resolution|resolution]] 1.72&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[5eyu]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EYU OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EYU FirstGlance]. <br>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=PGE:TRIETHYLENE+GLYCOL'>PGE</scene></td></tr>
+<tr id='NonStdRes'><td class="sblockLbl"><b>[[Non-Standard_Residue|NonStd Res:]]</b></td><td class="sblockDat"><scene name='pdbligand=CME:S,S-(2-HYDROXYETHYL)THIOCYSTEINE'>CME</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4zxu|4zxu]], [[4nea|4nea]], [[4mpb|4mpb]], [[5dib|5dib]], [[4zwl|4zwl]], [[4nu9|4nu9]], [[4qto|4qto]], [[4qje|4qje]], [[4mpy|4mpy]], [[4q92|4q92]], [[4qn2|4qn2]], [[5ez4|5ez4]]</td></tr>
+<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>
+<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=5eyu FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5eyu OCA], [http://pdbe.org/5eyu PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5eyu RCSB], [http://www.ebi.ac.uk/pdbsum/5eyu PDBsum]</span></td></tr>
+</table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+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.
-The entry 5eyu is ON HOLD
+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>
-Authors: Halavaty, A.S., Minasov, G., Chen, C., Joo, J.C., Yakunin, A.F., Anderson, W.F., Center for Structural Genomics of Infectious Diseases
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-Description: 1.72 Angstrom resolution crystal structure of of betaine aldehyde dehydrogenase (betB) P449M point mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
+<div class="pdbe-citations 5eyu" style="background-color:#fffaf0;"></div>
-[[Category: Unreleased Structures]]
+== References ==
-[[Category: Joo, J.C]]
+<references/>
-[[Category: Center For Structural Genomics Of Infectious Diseases]]
+__TOC__
-[[Category: Yakunin, A.F]]
+</StructureSection>
+[[Category: Betaine-aldehyde dehydrogenase]]
+[[Category: Anderson, W F]]
+[[Category: Structural genomic]]
+[[Category: Chen, C]]
+[[Category: Halavaty, A S]]
+[[Category: Joo, J C]]
 [[Category: Minasov, G]]
-[[Category: Anderson, W.F]]
+[[Category: Yakunin, A F]]
-[[Category: Halavaty, A.S]]
+[[Category: Betb]]
-[[Category: Chen, C]]
+[[Category: Csgid]]
+[[Category: Oxidoreductase]]
+[[Category: Rossmann fold]]