4x2a

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'''Unreleased structure'''
 
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The entry 4x2a is ON HOLD
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==Crystal structure of mouse glyoxalase I complexed with baicalein==
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<StructureSection load='4x2a' size='340' side='right'caption='[[4x2a]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[4x2a]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Mus_musculus Mus musculus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4X2A OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4X2A FirstGlance]. <br>
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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&#8491;</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=3WL:5,6,7-TRIHYDROXY-2-PHENYL-4H-CHROMEN-4-ONE'>3WL</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=4x2a FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4x2a OCA], [https://pdbe.org/4x2a PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4x2a RCSB], [https://www.ebi.ac.uk/pdbsum/4x2a PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4x2a ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/LGUL_MOUSE LGUL_MOUSE] Catalyzes the conversion of hemimercaptal, formed from methylglyoxal and glutathione, to S-lactoylglutathione. Involved in the regulation of TNF-induced transcriptional activity of NF-kappa-B (By similarity).
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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The antitumor pharmacological property of flavonoids is correlated with inhibition towards glyoxalase I (GLOI), a critical zinc-enzyme in the methylglyoxal detoxification pathway. In this study, 16 flavonoids were examined, and only baicalein (Ki of 0.183 microM) is identified as a potent in vitro GLOI inhibitor. X-ray crystallographic analysis reveals that baicalein chelates with the catalytic Zn(2+) via its characteristic C6/C7 hydroxyl groups. The coordination ability of flavonoids, and therefore their ability to inhibit GLOI, is determined by the Zn(2+) coordination geometry, the rigid skeleton of flavonoids and the geometry of the hydrophobic cavity of the GLOI active site. This structural basis could be useful in predicting GLOI inhibition of other natural polyphenols.
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Authors: Zhang, H., Zhai, J., Zhang, L., Li, C., Zhao, Y., Hu, X.
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In Vitro Inhibition of Glyoxalase capital I, Ukrainian by Flavonoids: New Insights from Crystallographic Analysis.,Zhang H, Zhai J, Zhang L, Li C, Zhao Y, Chen Y, Li Q, Hu XP Curr Top Med Chem. 2016;16(4):460-6. PMID:26268338<ref>PMID:26268338</ref>
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Description: Crystal structure of mouse glyoxalase I complexed with baicalein
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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 4x2a" style="background-color:#fffaf0;"></div>
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==See Also==
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*[[Glyoxalase 3D structures|Glyoxalase 3D structures]]
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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: Large Structures]]
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[[Category: Mus musculus]]
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[[Category: Hu X]]
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[[Category: Li C]]
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[[Category: Zhai J]]
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[[Category: Zhang H]]
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[[Category: Zhang L]]
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[[Category: Zhao Y]]

Current revision

Crystal structure of mouse glyoxalase I complexed with baicalein

PDB ID 4x2a

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