1q0r

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[[Image:1q0r.jpg|left|200px]]
[[Image:1q0r.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1q0r |SIZE=350|CAPTION= <scene name='initialview01'>1q0r</scene>, resolution 1.45&Aring;
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The line below this paragraph, containing "STRUCTURE_1q0r", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <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>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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|GENE= rdmc ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=1924 Streptomyces purpurascens])
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|DOMAIN=
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{{STRUCTURE_1q0r| PDB=1q0r | SCENE= }}
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|RELATEDENTRY=[[1q0z|1Q0Z]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1q0r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q0r OCA], [http://www.ebi.ac.uk/pdbsum/1q0r PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1q0r RCSB]</span>
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}}
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'''Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin T (DcmaT)'''
'''Crystal structure of aclacinomycin methylesterase (RdmC) with bound product analogue, 10-decarboxymethylaclacinomycin T (DcmaT)'''
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[[Category: SPINE, Structural Proteomics in Europe.]]
[[Category: SPINE, Structural Proteomics in Europe.]]
[[Category: Schneider, G.]]
[[Category: Schneider, G.]]
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[[Category: anthracycline]]
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[[Category: Anthracycline]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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[[Category: methylesterase]]
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[[Category: Methylesterase]]
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[[Category: polyketide]]
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[[Category: Polyketide]]
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[[Category: spine]]
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[[Category: Spine]]
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[[Category: streptomyce]]
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[[Category: Streptomyce]]
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[[Category: structural genomic]]
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[[Category: Structural genomic]]
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[[Category: structural proteomics in europe]]
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[[Category: Structural proteomics in europe]]
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[[Category: tailoring enzyme]]
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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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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:07:14 2008''
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Revision as of 05:09, 13 April 2008

Image:1q0r.jpg

Template:STRUCTURE 1q0r

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


Overview

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.

About this Structure

1Q0R is a Single protein structure of sequence from Streptomyces purpurascens. Full crystallographic information is available from OCA.

Reference

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:12878604 Page seeded by OCA on Sun Apr 13 08:09:42 2008

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