3wlf: Difference between revisions

Line 1:

'''~~Unreleased~~ structure'''

==Crystal structure of (R)-carbonyl reductase from Candida Parapsilosis in complex with (R)-1-phenyl-1,2-ethanediol==

== Structural highlights ==

<table><tr><td colspan='2'>[[3wlf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WLF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WLF FirstGlance]. <br>

</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FEH:(1R)-1-PHENYLETHANE-1,2-DIOL'>FEH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>

<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3wle|3wle]]</td></tr>

<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>

<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=3wlf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wlf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wlf RCSB], [http://www.ebi.ac.uk/pdbsum/3wlf PDBsum]</span></td></tr>

<table>

== Publication Abstract from PubMed ==

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.

~~The entry 3wlf is ON HOLD until Paper Publication~~

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>

~~Authors: Wang~~, S.S.~~, Nie, Y~~., ~~Xu, Y~~.~~, Zhang~~, R.~~Z.,~~ Huang, C.H., ~~Chan~~, H.~~C., Guo~~, R.T.~~, Xiao~~, R.

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>

</div>

~~Description~~: ~~Complex structure of RCR with (R)-PED~~

== References ==

__TOC__

</StructureSection>

[[Category: Alcohol dehydrogenase]]

[[Category: Chan, H C.]]

[[Category: Guo, R T.]]

[[Category: Huang, C H.]]

[[Category: Nie, Y.]]

[[Category: Wang, S S.]]

[[Category: Xiao, R.]]

[[Category: Xu, Y.]]

[[Category: Zhang, R Z.]]

[[Category: Alcohol dehydrogenase]]

[[Category: Carbonyl reductase]]

[[Category: Oxidoreductase]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+==Crystal structure of (R)-carbonyl reductase from Candida Parapsilosis in complex with (R)-1-phenyl-1,2-ethanediol==
+<StructureSection load='3wlf' size='340' side='right' caption='[[3wlf]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[3wlf]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3WLF OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3WLF FirstGlance]. <br>
+</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FEH:(1R)-1-PHENYLETHANE-1,2-DIOL'>FEH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene><br>
+<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3wle|3wle]]</td></tr>
+<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>
+<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=3wlf FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3wlf OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3wlf RCSB], [http://www.ebi.ac.uk/pdbsum/3wlf PDBsum]</span></td></tr>
+<table>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+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.
-The entry 3wlf is ON HOLD  until Paper Publication
+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>
-Authors: Wang, S.S., Nie, Y., Xu, Y., Zhang, R.Z., Huang, C.H., Chan, H.C., Guo, R.T., Xiao, R.
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-Description: Complex structure of RCR with (R)-PED
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Alcohol dehydrogenase]]
+[[Category: Chan, H C.]]
+[[Category: Guo, R T.]]
+[[Category: Huang, C H.]]
+[[Category: Nie, Y.]]
+[[Category: Wang, S S.]]
+[[Category: Xiao, R.]]
+[[Category: Xu, Y.]]
+[[Category: Zhang, R Z.]]
+[[Category: Alcohol dehydrogenase]]
+[[Category: Carbonyl reductase]]
+[[Category: Oxidoreductase]]