3cv7

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Current revision (15:00, 1 November 2023) (edit) (undo)
 
(9 intermediate revisions not shown.)
Line 1: Line 1:
-
{{Seed}}
 
-
[[Image:3cv7.jpg|left|200px]]
 
-
<!--
+
==Crystal structure of porcine aldehyde reductase ternary complex==
-
The line below this paragraph, containing "STRUCTURE_3cv7", creates the "Structure Box" on the page.
+
<StructureSection load='3cv7' size='340' side='right'caption='[[3cv7]], [[Resolution|resolution]] 2.41&Aring;' scene=''>
-
You may change the PDB parameter (which sets the PDB file loaded into the applet)
+
== Structural highlights ==
-
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
+
<table><tr><td colspan='2'>[[3cv7]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CV7 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3CV7 FirstGlance]. <br>
-
or leave the SCENE parameter empty for the default display.
+
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.412&#8491;</td></tr>
-
-->
+
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=C2U:3,5-DICHLORO-2-HYDROXYBENZOIC+ACID'>C2U</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-
{{STRUCTURE_3cv7| PDB=3cv7 | SCENE= }}
+
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3cv7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3cv7 OCA], [https://pdbe.org/3cv7 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3cv7 RCSB], [https://www.ebi.ac.uk/pdbsum/3cv7 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3cv7 ProSAT]</span></td></tr>
 +
</table>
 +
== Function ==
 +
[https://www.uniprot.org/uniprot/AK1A1_PIG AK1A1_PIG] Catalyzes the NADPH-dependent reduction of a variety of aromatic and aliphatic aldehydes to their corresponding alcohols. Catalyzes the reduction of mevaldate to mevalonic acid and of glyceraldehyde to glycerol. Has broad substrate specificity. Plays a role in the activation of procarcinogens, such as polycyclic aromatic hydrocarbon trans-dihydrodiols, and in the metabolism of various xenobiotics and drugs (By similarity).
 +
== Evolutionary Conservation ==
 +
[[Image:Consurf_key_small.gif|200px|right]]
 +
Check<jmol>
 +
<jmolCheckbox>
 +
<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/cv/3cv7_consurf.spt"</scriptWhenChecked>
 +
<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
 +
<text>to colour the structure by Evolutionary Conservation</text>
 +
</jmolCheckbox>
 +
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3cv7 ConSurf].
 +
<div style="clear:both"></div>
 +
<div style="background-color:#fffaf0;">
 +
== Publication Abstract from PubMed ==
 +
The structure of aldehyde reductase (ALR1) in ternary complex with the coenzyme NADPH and 3,5-dichlorosalicylic acid (DCL), a potent inhibitor of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1), was determined at a resolution of 2.41A. The inhibitor formed a network of hydrogen bonds with the active site residues Trp22, Tyr50, His113, Trp114 and Arg312. Molecular modelling calculations together with inhibitory activity measurements indicated that DCL was a less potent inhibitor of ALR1 (256-fold) when compared to AKR1C1. In AKR1C1, the inhibitor formed a 10-fold stronger binding interaction with the catalytic residue (Tyr55), non-conserved hydrogen bonding interaction with His222, and additional van der Waals contacts with the non-conserved C-terminal residues Leu306, Leu308 and Phe311 that contribute to the inhibitor's selectivity advantage for AKR1C1 over ALR1.
-
===Crystal structure of porcine aldehyde reductase ternary complex===
+
Structure of aldehyde reductase in ternary complex with coenzyme and the potent 20alpha-hydroxysteroid dehydrogenase inhibitor 3,5-dichlorosalicylic acid: implications for inhibitor binding and selectivity.,Carbone V, Chung R, Endo S, Hara A, El-Kabbani O Arch Biochem Biophys. 2008 Nov 1;479(1):82-7. Epub 2008 Aug 28. PMID:18782556<ref>PMID:18782556</ref>
 +
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
 +
</div>
 +
<div class="pdbe-citations 3cv7" style="background-color:#fffaf0;"></div>
-
<!--
+
==See Also==
-
The line below this paragraph, {{ABSTRACT_PUBMED_18782556}}, adds the Publication Abstract to the page
+
*[[Alcohol dehydrogenase 3D structures|Alcohol dehydrogenase 3D structures]]
-
(as it appears on PubMed at http://www.pubmed.gov), where 18782556 is the PubMed ID number.
+
*[[Aldose reductase 3D structures|Aldose reductase 3D structures]]
-
-->
+
== References ==
-
{{ABSTRACT_PUBMED_18782556}}
+
<references/>
-
 
+
__TOC__
-
==About this Structure==
+
</StructureSection>
-
3CV7 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3CV7 OCA].
+
[[Category: Large Structures]]
-
 
+
-
==Reference==
+
-
Structure of aldehyde reductase in ternary complex with coenzyme and the potent 20alpha-hydroxysteroid dehydrogenase inhibitor 3,5-dichlorosalicylic acid: implications for inhibitor binding and selectivity., Carbone V, Chung R, Endo S, Hara A, El-Kabbani O, Arch Biochem Biophys. 2008 Nov 1;479(1):82-7. Epub 2008 Aug 28. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18782556 18782556]
+
-
[[Category: Single protein]]
+
[[Category: Sus scrofa]]
[[Category: Sus scrofa]]
-
[[Category: Carbone, V.]]
+
[[Category: Carbone V]]
-
[[Category: El-Kabbani, O.]]
+
[[Category: El-Kabbani O]]
-
[[Category: Acetylation]]
+
-
[[Category: Aldo-keto reductase]]
+
-
[[Category: Nadp]]
+
-
[[Category: Oxidoreductase]]
+
-
[[Category: Ternary complex]]
+
-
[[Category: Tim barrel]]
+
-
 
+
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Oct 29 10:56:38 2008''
+

Current revision

Crystal structure of porcine aldehyde reductase ternary complex

PDB ID 3cv7

Drag the structure with the mouse to rotate

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/3cv7"
Personal tools