2qxw

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[[Image:2qxw.jpg|left|200px]]<br /><applet load="2qxw" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:2qxw.jpg|left|200px]]
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caption="2qxw, resolution 0.80&Aring;" />
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'''Perdeuterated alr2 in complex with idd594'''<br />
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{{Structure
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|PDB= 2qxw |SIZE=350|CAPTION= <scene name='initialview01'>2qxw</scene>, resolution 0.80&Aring;
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|SITE= <scene name='pdbsite=AC1:Ndp+Binding+Site+For+Residue+A+318'>AC1</scene>, <scene name='pdbsite=AC2:Ldt+Binding+Site+For+Residue+A+320'>AC2</scene>, <scene name='pdbsite=AC3:Cit+Binding+Site+For+Residue+A+400'>AC3</scene> and <scene name='pdbsite=AC4:Cit+Binding+Site+For+Residue+A+450'>AC4</scene>
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|LIGAND= <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=LDT:IDD594'>LDT</scene> and <scene name='pdbligand=CIT:CITRIC ACID'>CIT</scene>
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|ACTIVITY= [http://en.wikipedia.org/wiki/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21]
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|GENE=
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}}
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'''Perdeuterated alr2 in complex with idd594'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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2QXW is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=NDP:'>NDP</scene>, <scene name='pdbligand=LDT:'>LDT</scene> and <scene name='pdbligand=CIT:'>CIT</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] Known structural/functional Sites: <scene name='pdbsite=AC1:Ndp+Binding+Site+For+Residue+A+318'>AC1</scene>, <scene name='pdbsite=AC2:Ldt+Binding+Site+For+Residue+A+320'>AC2</scene>, <scene name='pdbsite=AC3:Cit+Binding+Site+For+Residue+A+400'>AC3</scene> and <scene name='pdbsite=AC4:Cit+Binding+Site+For+Residue+A+450'>AC4</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QXW OCA].
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2QXW is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2QXW OCA].
==Reference==
==Reference==
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Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase., Blakeley MP, Ruiz F, Cachau R, Hazemann I, Meilleur F, Mitschler A, Ginell S, Afonine P, Ventura ON, Cousido-Siah A, Haertlein M, Joachimiak A, Myles D, Podjarny A, Proc Natl Acad Sci U S A. 2008 Feb 12;105(6):1844-8. Epub 2008 Feb 4. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=18250329 18250329]
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Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase., Blakeley MP, Ruiz F, Cachau R, Hazemann I, Meilleur F, Mitschler A, Ginell S, Afonine P, Ventura ON, Cousido-Siah A, Haertlein M, Joachimiak A, Myles D, Podjarny A, Proc Natl Acad Sci U S A. 2008 Feb 12;105(6):1844-8. Epub 2008 Feb 4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18250329 18250329]
[[Category: Aldehyde reductase]]
[[Category: Aldehyde reductase]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: polymorphism]]
[[Category: polymorphism]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri Mar 14 09:43:12 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:30:44 2008''

Revision as of 16:30, 20 March 2008

Image:2qxw.jpg


PDB ID 2qxw

Drag the structure with the mouse to rotate
, resolution 0.80Å
Sites: , , and
Ligands: , and
Activity: Aldehyde reductase, with EC number 1.1.1.21
Coordinates: save as pdb, mmCIF, xml



Perdeuterated alr2 in complex with idd594


Overview

We present results of combined studies of the enzyme human aldose reductase (h-AR, 36 kDa) using single-crystal x-ray data (0.66 A, 100K; 0.80 A, 15K; 1.75 A, 293K), neutron Laue data (2.2 A, 293K), and quantum mechanical modeling. These complementary techniques unveil the internal organization and mobility of the hydrogen bond network that defines the properties of the catalytic engine, explaining how this promiscuous enzyme overcomes the simultaneous requirements of efficiency and promiscuity offering a general mechanistic view for this class of enzymes.

About this Structure

2QXW is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Quantum model of catalysis based on a mobile proton revealed by subatomic x-ray and neutron diffraction studies of h-aldose reductase., Blakeley MP, Ruiz F, Cachau R, Hazemann I, Meilleur F, Mitschler A, Ginell S, Afonine P, Ventura ON, Cousido-Siah A, Haertlein M, Joachimiak A, Myles D, Podjarny A, Proc Natl Acad Sci U S A. 2008 Feb 12;105(6):1844-8. Epub 2008 Feb 4. PMID:18250329

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