3wle

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'''Unreleased structure'''
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==Crystal structure of (R)-carbonyl reductase from Candida Parapsilosis in complex with NAD==
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<StructureSection load='3wle' size='340' side='right' caption='[[3wle]], [[Resolution|resolution]] 2.16&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3wle]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WLE OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WLE FirstGlance]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3wlf|3wlf]]</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Alcohol_dehydrogenase Alcohol dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.1 1.1.1.1] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3wle FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wle OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wle RCSB], [http://www.ebi.ac.uk/pdbsum/3wle PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Structure-guided design of substrate-binding pocket inversed the stereoselectivity of an NADH-dependent medium-chain alcohol dehydrogenase (MDR) from Prelog to anti-Prelog. The pocket-forming amino acids, especially the unconserved residues as hotspots, play critical roles in directing MDRs' stereoselectivity.
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The entry 3wle is ON HOLD until Paper Publication
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Unconserved substrate-binding sites direct the stereoselectivity of medium-chain alcohol dehydrogenase.,Wang S, Nie Y, Xu Y, Zhang R, Ko TP, Huang CH, Chan HC, Guo RT, Xiao R Chem Commun (Camb). 2014 Jun 24;50(58):7770-2. doi: 10.1039/c4cc01752h. PMID:24834985<ref>PMID:24834985</ref>
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Authors: Wang, S.S., Nie, Y., Xu, Y., Zhang, R.Z., Huang, C.H., Chan, H.C., Guo, R.T., Xiao, R.
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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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Description: Complex structure of RCR with NAD
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Alcohol dehydrogenase]]
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[[Category: Chan, H C.]]
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[[Category: Guo, R T.]]
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[[Category: Huang, C H.]]
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[[Category: Nie, Y.]]
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[[Category: Wang, S S.]]
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[[Category: Xiao, R.]]
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[[Category: Xu, Y.]]
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[[Category: Zhang, R Z.]]
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[[Category: Alcohol dehydrogenase]]
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[[Category: Carbonyl reductase]]
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[[Category: Oxidoreductase]]

Revision as of 10:19, 16 July 2014

Crystal structure of (R)-carbonyl reductase from Candida Parapsilosis in complex with NAD

3wle, resolution 2.16Å

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