4x0t: Difference between revisions

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<StructureSection load='4x0t' size='340' side='right' caption='[[4x0t]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
<StructureSection load='4x0t' size='340' side='right' caption='[[4x0t]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4x0t]] is a 4 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4X0T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4X0T FirstGlance]. <br>
<table><tr><td colspan='2'>[[4x0t]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4X0T OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4X0T FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3W9:4-(DIETHYLAMINO)BENZALDEHYDE'>3W9</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=3W9:4-(DIETHYLAMINO)BENZALDEHYDE'>3W9</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene></td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4x0u|4x0u]]</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4x0u|4x0u]]</td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">ALDH7A1, ATQ1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4x0t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4x0t OCA], [http://pdbe.org/4x0t PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4x0t RCSB], [http://www.ebi.ac.uk/pdbsum/4x0t PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4x0t ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4x0t FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4x0t OCA], [http://pdbe.org/4x0t PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4x0t RCSB], [http://www.ebi.ac.uk/pdbsum/4x0t PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4x0t ProSAT]</span></td></tr>
</table>
</table>
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__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Human]]
[[Category: Luo, M]]
[[Category: Luo, M]]
[[Category: Tanner, J J]]
[[Category: Tanner, J J]]

Revision as of 12:30, 22 November 2017

Structure ALDH7A1 inactivated by 4-diethylaminobenzaldehyde and complexed with NAD+Structure ALDH7A1 inactivated by 4-diethylaminobenzaldehyde and complexed with NAD+

Structural highlights

4x0t is a 4 chain structure with sequence from Human. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:,
Gene:ALDH7A1, ATQ1 (HUMAN)
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Disease

[AL7A1_HUMAN] Pyridoxine-dependent epilepsy. The disease is caused by mutations affecting the gene represented in this entry.

Function

[AL7A1_HUMAN] Multifunctional enzyme mediating important protective effects. Metabolizes betaine aldehyde to betaine, an important cellular osmolyte and methyl donor. Protects cells from oxidative stress by metabolizing a number of lipid peroxidation-derived aldehydes. Involved in lysine catabolism.[1] [2]

Publication Abstract from PubMed

There is growing interest in aldehyde dehydrogenases (ALDHs) because of their overexpression in cancer stem cells and the ability to mediate resistance to cancer drugs. Here, we report the first crystal structure of an aldehyde dehydrogenase complexed with the inhibitor 4-diethylaminobenzaldehyde (DEAB). Contrary to the widely held belief that DEAB is a reversible inhibitor of ALDHs, we show that DEAB irreversibly inactivates ALDH7A1 via formation of a stable, covalent acyl-enzyme species.

Diethylaminobenzaldehyde Is a Covalent, Irreversible Inactivator of ALDH7A1.,Luo M, Gates KS, Henzl MT, Tanner JJ ACS Chem Biol. 2015 Jan 6. PMID:25554827[3]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

  1. ↑ Mills PB, Struys E, Jakobs C, Plecko B, Baxter P, Baumgartner M, Willemsen MA, Omran H, Tacke U, Uhlenberg B, Weschke B, Clayton PT. Mutations in antiquitin in individuals with pyridoxine-dependent seizures. Nat Med. 2006 Mar;12(3):307-9. Epub 2006 Feb 19. PMID:16491085 doi:http://dx.doi.org/nm1366
  2. ↑ Brocker C, Lassen N, Estey T, Pappa A, Cantore M, Orlova VV, Chavakis T, Kavanagh KL, Oppermann U, Vasiliou V. Aldehyde dehydrogenase 7A1 (ALDH7A1) is a novel enzyme involved in cellular defense against hyperosmotic stress. J Biol Chem. 2010 Jun 11;285(24):18452-63. Epub 2010 Mar 5. PMID:20207735 doi:10.1074/jbc.M109.077925
  3. ↑ Luo M, Gates KS, Henzl MT, Tanner JJ. Diethylaminobenzaldehyde Is a Covalent, Irreversible Inactivator of ALDH7A1. ACS Chem Biol. 2015 Jan 6. PMID:25554827 doi:http://dx.doi.org/10.1021/cb500977q

4x0t, resolution 2.40Å

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