1q0r

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[[Image:1q0r.jpg|left|200px]]
 
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==Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin T (DcmaT)==
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The line below this paragraph, containing "STRUCTURE_1q0r", creates the "Structure Box" on the page.
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<StructureSection load='1q0r' size='340' side='right'caption='[[1q0r]], [[Resolution|resolution]] 1.45&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[1q0r]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Streptomyces_purpurascens Streptomyces purpurascens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1Q0R OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1Q0R FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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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]] 1.45&#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=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=AKT:10-DECARBOXYMETHYLACLACINOMYCIN+T+(DCMAT)'>AKT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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{{STRUCTURE_1q0r| PDB=1q0r | SCENE= }}
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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=1q0r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q0r OCA], [https://pdbe.org/1q0r PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1q0r RCSB], [https://www.ebi.ac.uk/pdbsum/1q0r PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1q0r ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/RDMC_STREF RDMC_STREF] Involved in the biosynthesis of the anthracycline aclacinomycin which is an aromatic polyketide antibiotic that exhibits high cytotoxicity and is widely applied in the chemotherapy of a variety of cancers. Catalyzes the removal of the methoxy group from the C-15 position of aclacinomycin T and A to yield 15-demethoxyaclacinomycin T and A, respectively.<ref>PMID:11004563</ref> <ref>PMID:7751313</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/q0/1q0r_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=1q0r ConSurf].
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<div style="clear:both"></div>
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'''Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin T (DcmaT)'''
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==See Also==
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*[[Methylesterase 3D structures|Methylesterase 3D structures]]
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== References ==
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==Overview==
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<references/>
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Aclacinomycin methylesterase (RdmC) is one of the tailoring enzymes that modify the aklavinone skeleton in the biosynthesis of anthracyclines in Streptomyces species. The crystal structures of this enzyme from Streptomyces purpurascens in complex with the product analogues 10-decarboxymethylaclacinomycin T and 10-decarboxymethylaclacinomycin A were determined to nominal resolutions of 1.45 and 1.95 A, respectively. RdmC is built up of two domains. The larger alpha/beta domain shows the common alpha/beta hydrolase fold, whereas the smaller domain is alpha-helical. The active site and substrate binding pocket are located at the interface between the two domains. Decarboxymethylaclacinomycin T and decarboxymethylaclacinomycin A bind close to the catalytic triad (Ser102-His276-Asp248) in a hydrophobic pocket, with the sugar moieties located at the surface of the enzyme. The binding of the ligands is dominated by hydrophobic interactions, and specificity appears to be controlled mainly by the shape of the binding pocket rather than through specific hydrogen bonds. Mechanistic key features consistent with the structure of complexes of RdmC with product analogues are Ser102 acting as nucleophile and transition state stabilization by an oxyanion hole formed by the backbone amides of residues Gly32 and Met103.
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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1Q0R is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Streptomyces_purpurascens Streptomyces purpurascens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1Q0R OCA].
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==Reference==
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Crystal structure of aclacinomycin methylesterase with bound product analogues: implications for anthracycline recognition and mechanism., Jansson A, Niemi J, Mantsala P, Schneider G, J Biol Chem. 2003 Oct 3;278(40):39006-13. Epub 2003 Jul 23. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12878604 12878604]
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[[Category: Single protein]]
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[[Category: Streptomyces purpurascens]]
[[Category: Streptomyces purpurascens]]
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[[Category: Jansson, A.]]
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[[Category: Jansson A]]
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[[Category: Mantsala, P.]]
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[[Category: Mantsala P]]
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[[Category: Niemi, J.]]
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[[Category: Niemi J]]
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[[Category: SPINE, Structural Proteomics in Europe.]]
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[[Category: Schneider G]]
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[[Category: Schneider, G.]]
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[[Category: Anthracycline]]
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[[Category: Hydrolase]]
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[[Category: Methylesterase]]
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[[Category: Polyketide]]
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[[Category: Spine]]
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[[Category: Streptomyce]]
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[[Category: Structural genomic]]
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[[Category: Structural proteomics in europe]]
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[[Category: Tailoring enzyme]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Apr 13 08:09:42 2008''
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Current revision

Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin T (DcmaT)

PDB ID 1q0r

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