1eko

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(New page: 200px<br /><applet load="1eko" size="450" color="white" frame="true" align="right" spinBox="true" caption="1eko, resolution 2.2&Aring;" /> '''PIG ALDOSE REDUCTASE ...)
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[[Image:1eko.jpg|left|200px]]<br /><applet load="1eko" size="350" color="white" frame="true" align="right" spinBox="true"
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caption="1eko, resolution 2.2&Aring;" />
'''PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR'''<br />
'''PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR'''<br />
==Overview==
==Overview==
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The crystallographic structure of the complex between human aldose, reductase (AR2) and one of its inhibitors, IDD384, has been solved at 1.7, A resolution from crystals obtained at pH 5.0. This structure shows that, the binding of the inhibitor's hydrophilic head to the catalytic residues, Tyr48 and His110 differs from that found previously with porcine AR2. The, difference is attributed to a change in the protonation state of the, inhibitor (pK(a) = 4.52) when soaked with crystals of human (at pH 5.0) or, pig lens AR2 (at pH 6.2). This work demonstrates how strongly the detailed, binding of the inhibitor's polar head depends on its protonation state.
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The crystallographic structure of the complex between human aldose reductase (AR2) and one of its inhibitors, IDD384, has been solved at 1.7 A resolution from crystals obtained at pH 5.0. This structure shows that the binding of the inhibitor's hydrophilic head to the catalytic residues Tyr48 and His110 differs from that found previously with porcine AR2. The difference is attributed to a change in the protonation state of the inhibitor (pK(a) = 4.52) when soaked with crystals of human (at pH 5.0) or pig lens AR2 (at pH 6.2). This work demonstrates how strongly the detailed binding of the inhibitor's polar head depends on its protonation state.
==About this Structure==
==About this Structure==
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1EKO is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with NAP and I84 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] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1EKO OCA].
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1EKO is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with <scene name='pdbligand=NAP:'>NAP</scene> and <scene name='pdbligand=I84:'>I84</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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1EKO OCA].
==Reference==
==Reference==
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[[Category: inhibition]]
[[Category: inhibition]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Nov 20 14:05:11 2007''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:28:44 2008''

Revision as of 10:28, 21 February 2008

Image:1eko.jpg

1eko, resolution 2.2Å

Drag the structure with the mouse to rotate

PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR

Overview

The crystallographic structure of the complex between human aldose reductase (AR2) and one of its inhibitors, IDD384, has been solved at 1.7 A resolution from crystals obtained at pH 5.0. This structure shows that the binding of the inhibitor's hydrophilic head to the catalytic residues Tyr48 and His110 differs from that found previously with porcine AR2. The difference is attributed to a change in the protonation state of the inhibitor (pK(a) = 4.52) when soaked with crystals of human (at pH 5.0) or pig lens AR2 (at pH 6.2). This work demonstrates how strongly the detailed binding of the inhibitor's polar head depends on its protonation state.

About this Structure

1EKO is a Single protein structure of sequence from Sus scrofa with and as ligands. Active as Aldehyde reductase, with EC number 1.1.1.21 Full crystallographic information is available from OCA.

Reference

The structure of human aldose reductase bound to the inhibitor IDD384., Calderone V, Chevrier B, Van Zandt M, Lamour V, Howard E, Poterszman A, Barth P, Mitschler A, Lu J, Dvornik DM, Klebe G, Kraemer O, Moorman AR, Moras D, Podjarny A, Acta Crystallogr D Biol Crystallogr. 2000 May;56(Pt 5):536-40. PMID:10771421

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