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1ukc
From Proteopedia
(New page: 200px<br /><applet load="1ukc" size="450" color="white" frame="true" align="right" spinBox="true" caption="1ukc, resolution 2.10Å" /> '''Crystal Structure of...) |
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| - | [[Image:1ukc.jpg|left|200px]]<br /><applet load="1ukc" size=" | + | [[Image:1ukc.jpg|left|200px]]<br /><applet load="1ukc" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1ukc, resolution 2.10Å" /> | caption="1ukc, resolution 2.10Å" /> | ||
'''Crystal Structure of Aspergillus niger EstA'''<br /> | '''Crystal Structure of Aspergillus niger EstA'''<br /> | ||
==Overview== | ==Overview== | ||
| - | From the fungus Aspergillus niger, we identified a new gene encoding | + | 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== | ==About this Structure== | ||
| - | 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 NAG, MAN, SO4, CL and EDO as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http:// | + | 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]. |
==Reference== | ==Reference== | ||
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[[Category: Bourne, Y.]] | [[Category: Bourne, Y.]] | ||
[[Category: Chahinian, H.]] | [[Category: Chahinian, H.]] | ||
| - | [[Category: Graaff, L | + | [[Category: Graaff, L H.De.]] |
| - | [[Category: Hasper, A | + | [[Category: Hasper, A A.]] |
[[Category: Juin, M.]] | [[Category: Juin, M.]] | ||
[[Category: Marchot, P.]] | [[Category: Marchot, P.]] | ||
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[[Category: fungi]] | [[Category: fungi]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:25:26 2008'' |
Revision as of 13:25, 21 February 2008
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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 with , , , and as ligands. 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 Thu Feb 21 15:25:26 2008
Categories: Aspergillus niger | Single protein | Bourne, Y. | Chahinian, H. | Graaff, L H.De. | Hasper, A A. | Juin, M. | Marchot, P. | CL | EDO | MAN | NAG | SO4 | A/b hydrolase fold | Acetylcholinesterase | Esterase | Fungi
