4dmr

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[[Image:4dmr.jpg|left|200px]]<br /><applet load="4dmr" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="4dmr, resolution 1.90&Aring;" />
 
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'''REDUCED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS WITH BOUND DMSO SUBSTRATE'''<br />
 
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==Overview==
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==REDUCED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS WITH BOUND DMSO SUBSTRATE==
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The crystal structure of the molybdenum enzyme dimethylsulphoxide, reductase (DMSOR) has been determined at 1.9 A resolution with substrate, bound at the active site. DMSOR is an oxotransferase which catalyses the, reduction of dimethylsulphoxide (DMSO) to dimethylsulphide (DMS) in a two, stage reaction which is linked to oxygen atom transfer and electron, transfer. In the first step, DMSO binds to reduced (Mo(IV)) enzyme, the, enzyme is oxidised to Mo(VI) with an extra oxygen ligand and DMS is, released. Regeneration of reduced enzyme is achieved by transfer of two, electrons, successively from a specific cytochrome, and release of the, oxygen as water. The enzyme, purified under aerobic conditions, is in the, oxidised (Mo(VI)) state. Addition of a large excess of DMS to the oxidised, enzyme in solution causes a change in the absorption spectrum of the, enzyme. The same reaction occurs within crystals of the enzyme and the, crystal structure reveals a complex with DMSO bound to the molybdenum via, its oxygen atom. X-ray edge data indicate that the metal is in the Mo(IV), state. The DMSO ligand replaces one of the two oxo groups which ligate the, oxidised form of the enzyme, suggesting very strongly that this is the, oxygen which is transferred during catalysis. Residues 384 to 390, disordered in the oxidised enzyme, are now clearly seen in the cleft, leading to the active site. The side-chain of Trp388 forms a lid trapping, the substrate/product.
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<StructureSection load='4dmr' size='340' side='right'caption='[[4dmr]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
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== Structural highlights ==
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==About this Structure==
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<table><tr><td colspan='2'>[[4dmr]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Rhodobacter_capsulatus Rhodobacter capsulatus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4DMR OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4DMR FirstGlance]. <br>
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4DMR is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Rhodobacter_capsulatus Rhodobacter capsulatus] with PGD, 4MO, O and DMS as [http://en.wikipedia.org/wiki/ligands ligands]. Known structural/functional Site: <scene name='pdbsite=MO:The Substrate Dmso Is Bound At The Active Site To The Mo ...'>MO</scene>. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=4DMR OCA].
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.9&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=4MO:MOLYBDENUM(IV)+ION'>4MO</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=O:OXYGEN+ATOM'>O</scene>, <scene name='pdbligand=PGD:2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE+GUANOSINE+DINUCLEOTIDE'>PGD</scene></td></tr>
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==Reference==
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=4dmr FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4dmr OCA], [https://pdbe.org/4dmr PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4dmr RCSB], [https://www.ebi.ac.uk/pdbsum/4dmr PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4dmr ProSAT]</span></td></tr>
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The high resolution crystal structure of DMSO reductase in complex with DMSO., McAlpine AS, McEwan AG, Bailey S, J Mol Biol. 1998 Jan 30;275(4):613-23. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=9466935 9466935]
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/DSTOR_RHOCA DSTOR_RHOCA] Catalyzes the reduction of dimethyl sulfoxide (DMSO) and trimethylamine N-oxide (TMAO) to dimethyl sulfide (DMS) and trimethylamine, respectively. The terminal DMSO reductase can also use various sulfoxides and N-oxide compounds as terminal electron acceptor in addition to DMSO and TMAO.<ref>PMID:2001248</ref> <ref>PMID:8856102</ref>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/dm/4dmr_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=4dmr ConSurf].
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<div style="clear:both"></div>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Large Structures]]
[[Category: Rhodobacter capsulatus]]
[[Category: Rhodobacter capsulatus]]
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[[Category: Single protein]]
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[[Category: Bailey S]]
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[[Category: Bailey, S.]]
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[[Category: Mcalpine AS]]
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[[Category: Mcalpine, A.S.]]
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[[Category: 4MO]]
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[[Category: DMS]]
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[[Category: O]]
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[[Category: PGD]]
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[[Category: dmso]]
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[[Category: molybdopterin]]
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[[Category: oxidoreductase]]
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[[Category: substrate bound]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Tue Dec 18 20:43:46 2007''
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Current revision

REDUCED DMSO REDUCTASE FROM RHODOBACTER CAPSULATUS WITH BOUND DMSO SUBSTRATE

PDB ID 4dmr

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