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1x7g

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[[Image:1x7g.jpg|left|200px]]
 
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{{Structure
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==Actinorhodin Polyketide Ketoreductase, act KR, with NADP bound==
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|PDB= 1x7g |SIZE=350|CAPTION= <scene name='initialview01'>1x7g</scene>, resolution 2.30&Aring;
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<StructureSection load='1x7g' size='340' side='right'caption='[[1x7g]], [[Resolution|resolution]] 2.30&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <scene name='pdbligand=NAP:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE'>NAP</scene>
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<table><tr><td colspan='2'>[[1x7g]] 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=1X7G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1X7G FirstGlance]. <br>
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|ACTIVITY=
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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]] 2.3&#8491;</td></tr>
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|GENE= actIII ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1902 Streptomyces coelicolor])
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=NAP:NADP+NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NAP</scene></td></tr>
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}}
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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=1x7g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1x7g OCA], [https://pdbe.org/1x7g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1x7g RCSB], [https://www.ebi.ac.uk/pdbsum/1x7g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1x7g ProSAT]</span></td></tr>
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</table>
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'''Actinorhodin Polyketide Ketoreductase, act KR, with NADP bound'''
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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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==Overview==
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[[Image:Consurf_key_small.gif|200px|right]]
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Aromatic polyketides are a class of natural products that include many pharmaceutically important aromatic compounds. Understanding the structure and function of PKS will provide clues to the molecular basis of polyketide biosynthesis specificity. Polyketide chain reduction by ketoreductase (KR) provides regio- and stereochemical diversity. Two cocrystal structures of actinorhodin polyketide ketoreductase (act KR) were solved to 2.3 A with either the cofactor NADP(+) or NADPH bound. The monomer fold is a highly conserved Rossmann fold. Subtle differences between structures of act KR and fatty acid KRs fine-tune the tetramer interface and substrate binding pocket. Comparisons of the NADP(+)- and NADPH-bound structures indicate that the alpha6-alpha7 loop region is highly flexible. The intricate proton-relay network in the active site leads to the proposed catalytic mechanism involving four waters, NADPH, and the active site tetrad Asn114-Ser144-Tyr157-Lys161. Acyl carrier protein and substrate docking models shed light on the molecular basis of KR regio- and stereoselectivity, as well as the differences between aromatic polyketide and fatty acid biosyntheses. Sequence comparison indicates that the above features are highly conserved among aromatic polyketide KRs. The structures of act KR provide an important step toward understanding aromatic PKS and will enhance our ability to design novel aromatic polyketide natural products with different reduction patterns.
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Check<jmol>
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<jmolCheckbox>
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==About this Structure==
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/x7/1x7g_consurf.spt"</scriptWhenChecked>
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1X7G is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Streptomyces_coelicolor Streptomyces coelicolor]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1X7G OCA].
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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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==Reference==
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</jmolCheckbox>
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Structural analysis of actinorhodin polyketide ketoreductase: cofactor binding and substrate specificity., Korman TP, Hill JA, Vu TN, Tsai SC, Biochemistry. 2004 Nov 23;43(46):14529-38. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15544323 15544323]
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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=1x7g ConSurf].
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[[Category: Single protein]]
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<div style="clear:both"></div>
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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: Hill, J A.]]
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[[Category: Hill JA]]
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[[Category: Korman, T P.]]
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[[Category: Korman TP]]
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[[Category: Vu, T N.]]
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[[Category: Vu TN]]
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[[Category: NAP]]
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[[Category: actinorhodin]]
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[[Category: antibiotic]]
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[[Category: combinatorial biosynthesis]]
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[[Category: ketoreductase]]
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[[Category: polyketide]]
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[[Category: short chain dehydrogenase/reductase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:06:02 2008''
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Current revision

Actinorhodin Polyketide Ketoreductase, act KR, with NADP bound

PDB ID 1x7g

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