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4i5x

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{{STRUCTURE_4i5x| PDB=4i5x | SCENE= }}
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==Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid==
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===Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid===
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<StructureSection load='4i5x' size='340' side='right' caption='[[4i5x]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
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{{ABSTRACT_PUBMED_24100137}}
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4i5x]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4I5X OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4I5X 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=FLF:2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO]+BENZOIC+ACID'>FLF</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4gqg|4gqg]], [[4gq0|4gq0]]</td></tr>
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<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">AKR1B10 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=4i5x FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4i5x OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4i5x RCSB], [http://www.ebi.ac.uk/pdbsum/4i5x 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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The antineoplastic target aldo-keto reductase family member 1B10 (AKR1B10) and the critical polyol pathway enzyme aldose reductase (AKR1B1) share high structural similarity. Crystal structures reported here reveal a surprising Trp112 native conformation stabilized by a specific Gln114-centered hydrogen bond network in the AKR1B10 holoenzyme, and suggest that AKR1B1 inhibitors could retain their binding affinities toward AKR1B10 by inducing Trp112 flip to result in an "AKR1B1-like" active site in AKR1B10, while selective AKR1B10 inhibitors can take advantage of the broader active site of AKR1B10 provided by the native Trp112 side-chain orientation.
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==Function==
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Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).,Zhang L, Zhang H, Zhao Y, Li Z, Chen S, Zhai J, Chen Y, Xie W, Wang Z, Li Q, Zheng X, Hu X FEBS Lett. 2013 Oct 4. pii: S0014-5793(13)00726-6. doi:, 10.1016/j.febslet.2013.09.031. PMID:24100137<ref>PMID:24100137</ref>
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[[http://www.uniprot.org/uniprot/AK1BA_HUMAN AK1BA_HUMAN]] Acts as all-trans-retinaldehyde reductase. Can efficiently reduce aliphatic and aromatic aldehydes, and is less active on hexoses (in vitro). May be responsible for detoxification of reactive aldehydes in the digested food before the nutrients are passed on to other organs.<ref>PMID:18087047</ref>
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==About this Structure==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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[[4i5x]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4I5X OCA].
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</div>
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:024100137</ref><references group="xtra"/><references/>
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__TOC__
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</StructureSection>
[[Category: Human]]
[[Category: Human]]
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[[Category: Chen, S.]]
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[[Category: Chen, S]]
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[[Category: Zhai, J.]]
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[[Category: Zhai, J]]
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[[Category: Zhang, H.]]
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[[Category: Zhang, H]]
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[[Category: Zhang, L.]]
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[[Category: Zhang, L]]
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[[Category: Zhao, Y.]]
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[[Category: Zhao, Y]]
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[[Category: Zheng, X.]]
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[[Category: Zheng, X]]
[[Category: Aldo-keto reductase]]
[[Category: Aldo-keto reductase]]
[[Category: Oxidoreductase]]
[[Category: Oxidoreductase]]
[[Category: Tim barrel]]
[[Category: Tim barrel]]

Revision as of 18:48, 21 December 2014

Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid

4i5x, resolution 2.10Å

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