1el3: Difference between revisions

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[[Image:1el3.gif|left|200px]]<br />

[[Image:1el3.gif|left|200px]]<br /><applet load="1el3" size="350" color="white" frame="true" align="right" spinBox="true"

<applet load="1el3" size="~~450~~" color="white" frame="true" align="right" spinBox="true"

caption="1el3, resolution 1.7Å" />

'''HUMAN ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR'''<br />

==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.

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==

1EL3 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 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=1EL3 OCA].

1EL3 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=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=1EL3 OCA].

==Reference==

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[[Category: inhibition]]

''Page seeded by [http://~~ispc~~.weizmann.ac.il/oca OCA ] on ~~Mon Nov~~ 12 16:44:~~33 2007~~''

''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:28:51 2008''

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@@ Line 1: / Line 1: @@
-[[Image:1el3.gif|left|200px]]<br />
+[[Image:1el3.gif|left|200px]]<br /><applet load="1el3" size="350" color="white" frame="true" align="right" spinBox="true"
-<applet load="1el3" size="450" color="white" frame="true" align="right" spinBox="true"
 caption="1el3, resolution 1.7&Aring;" />
 '''HUMAN ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR'''<br />
 ==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.
+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==
-EL3 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 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=1EL3 OCA].
+EL3 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=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=1EL3 OCA].
 ==Reference==
@@ Line 22: / Line 21: @@
 [[Category: inhibition]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 12 16:44:33 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:28:51 2008''