4uhx: Difference between revisions

Line 1:

'''~~Unreleased structure~~'''

==Human aldehyde oxidase in complex with phthalazine and thioridazine==

~~The entry~~ 4uhx is ~~ON HOLD until Mar 26 2017~~

== Structural highlights ==

<table><tr><td colspan='2'>[[4uhx]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UHX OCA]. For a guided tour on the structure components use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UHX FirstGlance].

~~Authors~~: ~~Coelho~~, C., ~~Romao~~, M.J., ~~Santos~~-~~Silva~~, T.

</td></tr><tr id='ligand'><td class="sblockLbl">[[Ligand|Ligands:]]</td><td class="sblockDat"><scene name='pdbligand=4FT:PHTHALAZINE'>4FT</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=LZU:10-{2-[(2S)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2-(METHYLSULFANYL)-10H-PHENOTHIAZINE'>LZU</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</scene>, <scene name='pdbligand=MOS:DIOXOTHIOMOLYBDENUM(VI)+ION'>MOS</scene>, <scene name='pdbligand=MTE:PHOSPHONIC+ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER'>MTE</scene>, <scene name='pdbligand=RTZ:10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2-(METHYLSULFANYL)-10H-PHENOTHIAZINE'>RTZ</scene></td></tr>

<tr id='related'><td class="sblockLbl">[[Related_structure|Related:]]</td><td class="sblockDat">[[4uhw|4uhw]]</td></tr>

~~Description~~: ~~Human aldehyde~~ oxidase ~~in complex with phthalazine and thioridazine~~

<tr id='activity'><td class="sblockLbl">Activity:</td><td class="sblockDat">[http://en.wikipedia.org/wiki/Aldehyde_oxidase Aldehyde oxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.3.1 1.2.3.1] </td></tr>

[[Category: ~~Unreleased Structures~~]]

<tr id='resources'><td class="sblockLbl">Resources:</td><td class="sblockDat">[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4uhx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uhx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4uhx RCSB], [http://www.ebi.ac.uk/pdbsum/4uhx PDBsum]</td></tr>

</table>

== Function ==

[[http://www.uniprot.org/uniprot/AOXA_HUMAN AOXA_HUMAN]] Oxidase with broad substrate specificity, oxidizing aromatic azaheterocycles, such as N1-methylnicotinamide and N-methylphthalazinium, as well as aldehydes, such as benzaldehyde, retinal, pyridoxal, and vanillin. Plays a key role in the metabolism of xenobiotics and drugs containing aromatic azaheterocyclic substituents. Participates in the bioactivation of prodrugs such as famciclovir, catalyzing the oxidation step from 6-deoxypenciclovir to penciclovir, which is a potent antiviral agent. Is probably involved in the regulation of reactive oxygen species homeostasis. May be a prominent source of superoxide generation via the one-electron reduction of molecular oxygen. Also may catalyze nitric oxide (NO) production via the reduction of nitrite to NO with NADH or aldehyde as electron donor. May play a role in adipogenesis.<ref>PMID:20444863</ref> <ref>PMID:22031625</ref> <ref>PMID:22279051</ref> <ref>PMID:22522748</ref> <ref>PMID:22996261</ref> <ref>PMID:23857892</ref> <ref>PMID:7786031</ref> <ref>PMID:9224775</ref>

== References ==

__TOC__

</StructureSection>

[[Category: Aldehyde oxidase]]

[[Category: Coelho, C]]

[[Category: Romao, M J]]

[[Category: Santos-Silva, T]]

[[Category: ~~Coelho, C~~]]

[[Category: Drug metabolism]]

[[Category: ~~Romao, M.J~~]]

[[Category: Molybdenum enzyme]]

[[Category: Oxidoreductase]]

[[Category: Phthalazine]]

[[Category: Thioridazine]]

[[Category: Xanthine oxidase]]

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@@ Line 1: / Line 1: @@
-'''Unreleased structure'''
+==Human aldehyde oxidase in complex with phthalazine and thioridazine==
+<StructureSection load='4uhx' size='340' side='right' caption='[[4uhx]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
-The entry 4uhx is ON HOLD  until Mar 26 2017
+== Structural highlights ==
+<table><tr><td colspan='2'>[[4uhx]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4UHX OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4UHX FirstGlance]. <br>
-Authors: Coelho, C., Romao, M.J., Santos-Silva, T.
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4FT:PHTHALAZINE'>4FT</scene>, <scene name='pdbligand=FAD:FLAVIN-ADENINE+DINUCLEOTIDE'>FAD</scene>, <scene name='pdbligand=FES:FE2/S2+(INORGANIC)+CLUSTER'>FES</scene>, <scene name='pdbligand=LZU:10-{2-[(2S)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2-(METHYLSULFANYL)-10H-PHENOTHIAZINE'>LZU</scene>, <scene name='pdbligand=MLI:MALONATE+ION'>MLI</scene>, <scene name='pdbligand=MOS:DIOXOTHIOMOLYBDENUM(VI)+ION'>MOS</scene>, <scene name='pdbligand=MTE:PHOSPHONIC+ACIDMONO-(2-AMINO-5,6-DIMERCAPTO-4-OXO-3,7,8A,9,10,10A-HEXAHYDRO-4H-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-7-YLMETHYL)ESTER'>MTE</scene>, <scene name='pdbligand=RTZ:10-{2-[(2R)-1-METHYLPIPERIDIN-2-YL]ETHYL}-2-(METHYLSULFANYL)-10H-PHENOTHIAZINE'>RTZ</scene></td></tr>
+<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4uhw|4uhw]]</td></tr>
-Description: Human aldehyde oxidase in complex with phthalazine and thioridazine
+<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Aldehyde_oxidase Aldehyde oxidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.2.3.1 1.2.3.1] </span></td></tr>
-[[Category: Unreleased Structures]]
+<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=4uhx FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4uhx OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4uhx RCSB], [http://www.ebi.ac.uk/pdbsum/4uhx PDBsum]</span></td></tr>
+</table>
+== Function ==
+[[http://www.uniprot.org/uniprot/AOXA_HUMAN AOXA_HUMAN]] Oxidase with broad substrate specificity, oxidizing aromatic azaheterocycles, such as N1-methylnicotinamide and N-methylphthalazinium, as well as aldehydes, such as benzaldehyde, retinal, pyridoxal, and vanillin. Plays a key role in the metabolism of xenobiotics and drugs containing aromatic azaheterocyclic substituents. Participates in the bioactivation of prodrugs such as famciclovir, catalyzing the oxidation step from 6-deoxypenciclovir to penciclovir, which is a potent antiviral agent. Is probably involved in the regulation of reactive oxygen species homeostasis. May be a prominent source of superoxide generation via the one-electron reduction of molecular oxygen. Also may catalyze nitric oxide (NO) production via the reduction of nitrite to NO with NADH or aldehyde as electron donor. May play a role in adipogenesis.<ref>PMID:20444863</ref> <ref>PMID:22031625</ref> <ref>PMID:22279051</ref> <ref>PMID:22522748</ref> <ref>PMID:22996261</ref> <ref>PMID:23857892</ref> <ref>PMID:7786031</ref> <ref>PMID:9224775</ref>
+== References ==
+<references/>
+__TOC__
+</StructureSection>
+[[Category: Aldehyde oxidase]]
+[[Category: Coelho, C]]
+[[Category: Romao, M J]]
 [[Category: Santos-Silva, T]]
-[[Category: Coelho, C]]
+[[Category: Drug metabolism]]
-[[Category: Romao, M.J]]
+[[Category: Molybdenum enzyme]]
+[[Category: Oxidoreductase]]
+[[Category: Phthalazine]]
+[[Category: Thioridazine]]
+[[Category: Xanthine oxidase]]