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4u2s

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Revision as of 07:58, 22 March 2023

Cholesterol oxidase in the reduced state complexed with isopropanol

Structural highlights

4u2s is a 1 chain structure with sequence from Streptomyces sp. SA-COO. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:	,
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

CHOD_STRS0 Bifunctional enzyme that catalyzes the oxidation of the 3-beta-hydroxy group of cholesterol and the isomerization of the double bond of the resulting product.

Publication Abstract from PubMed

Cholesterol oxidase (CO) is a flavoenzyme that catalyzes the oxidation and isomerization of cholesterol to cholest-4-en-3-one. The reductive half reaction occurs via a hydride transfer from the substrate to the FAD cofactor. The structures of CO reduced with dithionite under aerobic conditions and in the presence of the substrate 2-propanol under both aerobic and anaerobic conditions are presented. The 1.32 A resolution structure of the dithionite-reduced enzyme reveals a sulfite molecule covalently bound to the FAD cofactor. The isoalloxazine ring system displays a bent structure relative to that of the oxidized enzyme, and alternate conformations of a triad of aromatic residues near to the cofactor are evident. A 1.12 A resolution anaerobically trapped reduced enzyme structure in the presence of 2-propanol does not show a similar bending of the flavin ring system, but does show alternate conformations of the aromatic triad. Additionally, a significant difference electron-density peak is observed within a covalent-bond distance of N5 of the flavin moiety, suggesting that a hydride-transfer event has occurred as a result of substrate oxidation trapping the flavin in the electron-rich reduced state. The hydride transfer generates a tetrahedral geometry about the flavin N5 atom. High-level density-functional theory calculations were performed to correlate the crystallographic findings with the energetics of this unusual arrangement of the flavin moiety. These calculations suggest that strong hydrogen-bond interactions between Gly120 and the flavin N5 centre may play an important role in these structural features.

High-resolution structures of cholesterol oxidase in the reduced state provide insights into redox stabilization.,Golden E, Karton A, Vrielink A Acta Crystallogr D Biol Crystallogr. 2014 Dec 1;70(Pt 12):3155-66. doi:, 10.1107/S139900471402286X. Epub 2014 Nov 22. PMID:25478834^[1]

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

References

↑ Golden E, Karton A, Vrielink A. High-resolution structures of cholesterol oxidase in the reduced state provide insights into redox stabilization. Acta Crystallogr D Biol Crystallogr. 2014 Dec 1;70(Pt 12):3155-66. doi:, 10.1107/S139900471402286X. Epub 2014 Nov 22. PMID:25478834 doi:http://dx.doi.org/10.1107/S139900471402286X

1 Structural highlights
2 Function
3 Publication Abstract from PubMed
4 See Also
5 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/4u2s"

Categories: Large Structures | Streptomyces sp. SA-COO | Golden EA | Vrielink A

@@ Line 1: / Line 1: @@
 ==Cholesterol oxidase in the reduced state complexed with isopropanol==
-<StructureSection load='4u2s' size='340' side='right' caption='[[4u2s]], [[Resolution|resolution]] 1.12&Aring;' scene=''>
+<StructureSection load='4u2s' size='340' side='right'caption='[[4u2s]], [[Resolution|resolution]] 1.12&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[4u2s]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Strs0 Strs0]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U2S OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4U2S FirstGlance]. <br>
+<table><tr><td colspan='2'>[[4u2s]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_sp._SA-COO Streptomyces sp. SA-COO]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4U2S OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4U2S FirstGlance]. <br>
-</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=FDA:DIHYDROFLAVINE-ADENINE+DINUCLEOTIDE'>FDA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
+</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=FDA:DIHYDROFLAVINE-ADENINE+DINUCLEOTIDE'>FDA</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
-<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">choA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=74576 STRS0])</td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4u2s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u2s OCA], [https://pdbe.org/4u2s PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4u2s RCSB], [https://www.ebi.ac.uk/pdbsum/4u2s PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4u2s 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=4u2s FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4u2s OCA], [http://pdbe.org/4u2s PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4u2s RCSB], [http://www.ebi.ac.uk/pdbsum/4u2s PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4u2s ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/CHOD_STRS0 CHOD_STRS0]] Bifunctional enzyme that catalyzes the oxidation of the 3-beta-hydroxy group of cholesterol and the isomerization of the double bond of the resulting product.
+[https://www.uniprot.org/uniprot/CHOD_STRS0 CHOD_STRS0] Bifunctional enzyme that catalyzes the oxidation of the 3-beta-hydroxy group of cholesterol and the isomerization of the double bond of the resulting product.
 <div style="background-color:#fffaf0;">
 == Publication Abstract from PubMed ==
@@ Line 19: / Line 18: @@
 </div>
 <div class="pdbe-citations 4u2s" style="background-color:#fffaf0;"></div>
+==See Also==
+*[[Cholesterol oxidase|Cholesterol oxidase]]
 == References ==
 <references/>
 __TOC__
 </StructureSection>
-[[Category: Strs0]]
+[[Category: Large Structures]]
-[[Category: Golden, E A]]
+[[Category: Streptomyces sp. SA-COO]]
-[[Category: Vrielink, A]]
+[[Category: Golden EA]]
-[[Category: Cholesterol oxidase]]
+[[Category: Vrielink A]]
-[[Category: Flavoenzyme]]
-[[Category: Isomerase]]
-[[Category: Oxidoreductase]]
-[[Category: Redox chemistry]]

4u2s

From Proteopedia

Revision as of 07:58, 22 March 2023

Cholesterol oxidase in the reduced state complexed with isopropanol

Structural highlights

Function

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

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