1w4z

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[[Image:1w4z.gif|left|200px]]<br />
 
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<applet load="1w4z" size="450" color="white" frame="true" align="right" spinBox="true"
 
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caption="1w4z, resolution 2.50&Aring;" />
 
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'''STRUCTURE OF ACTINORHODIN POLYKETIDE (ACTIII) REDUCTASE'''<br />
 
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==Overview==
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==Structure of actinorhodin polyketide (actIII) Reductase==
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We have determined the 2.5 angstroms crystal structure of an active, tetrameric Streptomyces coelicolor type II polyketide ketoreductase, (actIII) with its bound cofactor, NADP+. This structure shows a Rossman, dinucleotide binding fold characteristic of SDR enzymes. Of two subunits, in the crystallographic asymmetric unit, one is closed around the active, site. Formate is observed in the open subunit, indicating possible, carbonyl binding sites of the polyketide intermediate. Unlike previous, models we observe crystal contacts that may mimic the KR-ACP interactions, that may drive active site opening. Based on these observations, we have, constructed a model for ACP and polyketide binding. We propose that, binding of ACP triggers a conformational change from the closed to the, open, active form of the enzyme. The polyketide chain enters the active, site and reduction occurs. The model also suggests a general mechanism for, ACP recognition which is applicable to a range of protein families.
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<StructureSection load='1w4z' size='340' side='right'caption='[[1w4z]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1w4z]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W4Z OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1W4Z FirstGlance]. <br>
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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]] 2.5&#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=FMT:FORMIC+ACID'>FMT</scene>, <scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
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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=1w4z FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1w4z OCA], [https://pdbe.org/1w4z PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1w4z RCSB], [https://www.ebi.ac.uk/pdbsum/1w4z PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1w4z ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/ACT3_STRCO ACT3_STRCO]
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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/w4/1w4z_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=1w4z ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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We have determined the 2.5 angstroms crystal structure of an active, tetrameric Streptomyces coelicolor type II polyketide ketoreductase (actIII) with its bound cofactor, NADP+. This structure shows a Rossman dinucleotide binding fold characteristic of SDR enzymes. Of two subunits in the crystallographic asymmetric unit, one is closed around the active site. Formate is observed in the open subunit, indicating possible carbonyl binding sites of the polyketide intermediate. Unlike previous models we observe crystal contacts that may mimic the KR-ACP interactions that may drive active site opening. Based on these observations, we have constructed a model for ACP and polyketide binding. We propose that binding of ACP triggers a conformational change from the closed to the open, active form of the enzyme. The polyketide chain enters the active site and reduction occurs. The model also suggests a general mechanism for ACP recognition which is applicable to a range of protein families.
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==About this Structure==
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The crystal structure of the actIII actinorhodin polyketide reductase: proposed mechanism for ACP and polyketide binding.,Hadfield AT, Limpkin C, Teartasin W, Simpson TJ, Crosby J, Crump MP Structure. 2004 Oct;12(10):1865-75. PMID:15458634<ref>PMID:15458634</ref>
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1W4Z is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor] with NAP and FMT as [http://en.wikipedia.org/wiki/ligands ligands]. Structure known Active Site: AC1. Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=1W4Z OCA].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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The crystal structure of the actIII actinorhodin polyketide reductase: proposed mechanism for ACP and polyketide binding., Hadfield AT, Limpkin C, Teartasin W, Simpson TJ, Crosby J, Crump MP, Structure. 2004 Oct;12(10):1865-75. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15458634 15458634]
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</div>
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[[Category: Single protein]]
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<div class="pdbe-citations 1w4z" style="background-color:#fffaf0;"></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: Streptomyces coelicolor]]
[[Category: Streptomyces coelicolor]]
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[[Category: Crosby, J.]]
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[[Category: Crosby J]]
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[[Category: Crump, M.P.]]
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[[Category: Crump MP]]
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[[Category: Hadfield, A.T.]]
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[[Category: Hadfield AT]]
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[[Category: Limpkin, C.]]
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[[Category: Limpkin C]]
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[[Category: Simpson, T.J.]]
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[[Category: Simpson TJ]]
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[[Category: Teartasin, W.]]
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[[Category: Teartasin W]]
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[[Category: FMT]]
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[[Category: NAP]]
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[[Category: acp binding]]
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[[Category: antibiotic biosynthesis]]
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[[Category: ketoreductase]]
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[[Category: sdr]]
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[[Category: type ii polyketide synthesis]]
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''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Mon Nov 5 13:44:58 2007''
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Current revision

Structure of actinorhodin polyketide (actIII) Reductase

PDB ID 1w4z

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