1ukc

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[[Image:1ukc.jpg|left|200px]]<br /><applet load="1ukc" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1ukc.jpg|left|200px]]
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caption="1ukc, resolution 2.10&Aring;" />
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'''Crystal Structure of Aspergillus niger EstA'''<br />
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{{Structure
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|PDB= 1ukc |SIZE=350|CAPTION= <scene name='initialview01'>1ukc</scene>, resolution 2.10&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene>, <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene> and <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>
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|ACTIVITY=
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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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'''Crystal Structure of Aspergillus niger EstA'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1UKC is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Aspergillus_niger Aspergillus niger] with <scene name='pdbligand=NAG:'>NAG</scene>, <scene name='pdbligand=MAN:'>MAN</scene>, <scene name='pdbligand=SO4:'>SO4</scene>, <scene name='pdbligand=CL:'>CL</scene> and <scene name='pdbligand=EDO:'>EDO</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UKC OCA].
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1UKC is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Aspergillus_niger Aspergillus niger]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1UKC OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15062090 15062090]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/15062090 15062090]
[[Category: Aspergillus niger]]
[[Category: Aspergillus niger]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: fungi]]
[[Category: fungi]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:25:26 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:33:07 2008''

Revision as of 12:33, 20 March 2008

Image:1ukc.jpg


PDB ID 1ukc

Drag the structure with the mouse to rotate
, resolution 2.10Å
Ligands: , , , and
Gene: EstA (Aspergillus niger)
Coordinates: save as pdb, mmCIF, xml



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

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