1ukc

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[[Image:1ukc.jpg|left|200px]]
[[Image:1ukc.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1ukc |SIZE=350|CAPTION= <scene name='initialview01'>1ukc</scene>, resolution 2.10&Aring;
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The line below this paragraph, containing "STRUCTURE_1ukc", 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=CL:CHLORIDE+ION'>CL</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</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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or leave the SCENE parameter empty for the default display.
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|GENE= EstA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5061 Aspergillus niger])
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-->
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|DOMAIN=
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{{STRUCTURE_1ukc| PDB=1ukc | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1ukc FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ukc OCA], [http://www.ebi.ac.uk/pdbsum/1ukc PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ukc RCSB]</span>
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}}
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'''Crystal Structure of Aspergillus niger EstA'''
'''Crystal Structure of Aspergillus niger EstA'''
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[[Category: Juin, M.]]
[[Category: Juin, M.]]
[[Category: Marchot, P.]]
[[Category: Marchot, P.]]
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[[Category: a/b hydrolase fold]]
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[[Category: A/b hydrolase fold]]
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[[Category: acetylcholinesterase]]
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[[Category: Acetylcholinesterase]]
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[[Category: esterase]]
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[[Category: Esterase]]
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[[Category: fungi]]
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[[Category: Fungi]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 11:20:59 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:11:24 2008''
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Revision as of 08:20, 3 May 2008

Image:1ukc.jpg

Template:STRUCTURE 1ukc

Crystal Structure of Aspergillus niger EstA


Overview

From the fungus Aspergillus niger, we identified a new gene encoding protein EstA, a member of the alpha/beta-hydrolase fold superfamily but of unknown substrate specificity. EstA was overexpressed and its crystal structure was solved by molecular replacement using a lipase-acetylcholinesterase chimera template. The 2.1 A resolution structure of EstA reveals a canonical Ser/Glu/His catalytic triad located in a small pocket at the bottom of a large solvent-accessible, bowl-shaped cavity. Potential substrates selected by manual docking procedures were assayed for EstA activity. Consistent with the pocket geometry, preference for hydrolysis of short acyl/propyl chain substrates was found. Identification of close homologs from the genome of other fungi, of which some are broad host-range pathogens, defines EstA as the first member of a novel class of fungal esterases within the superfamily. Hence the structure of EstA constitutes a lead template in the design of new antifungal agents directed toward its pathogenic homologs.

About this Structure

1UKC is a Single protein structure of sequence from Aspergillus niger. Full crystallographic information is available from OCA.

Reference

Aspergillus niger protein EstA defines a new class of fungal esterases within the alpha/beta hydrolase fold superfamily of proteins., Bourne Y, Hasper AA, Chahinian H, Juin M, De Graaff LH, Marchot P, Structure. 2004 Apr;12(4):677-87. PMID:15062090 Page seeded by OCA on Sat May 3 11:20:59 2008

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