1ukc: Difference between revisions

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[[Image:1ukc.jpg|left|200px]]<br /><applet load="1ukc" size="~~450~~" color="white" frame="true" align="right" spinBox="true"

[[Image:1ukc.jpg|left|200px]]<br /><applet load="1ukc" size="350" color="white" frame="true" align="right" spinBox="true"

caption="1ukc, resolution 2.10Å" />

'''Crystal Structure of Aspergillus niger EstA'''<br />

==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.

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 [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://~~ispc~~.weizmann.ac.il/oca-bin/ocashort?id=1UKC OCA].

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==

Line 15:

[[Category: Bourne, Y.]]

[[Category: Chahinian, H.]]

[[Category: Graaff, L.H.De.]]

[[Category: Graaff, L H.De.]]

[[Category: Hasper, A.A.]]

[[Category: Hasper, A A.]]

[[Category: Juin, M.]]

[[Category: Marchot, P.]]

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[[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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@@ Line 1: / Line 1: @@
-[[Image:1ukc.jpg|left|200px]]<br /><applet load="1ukc" size="450" color="white" frame="true" align="right" spinBox="true"
+[[Image:1ukc.jpg|left|200px]]<br /><applet load="1ukc" size="350" color="white" frame="true" align="right" spinBox="true"
 caption="1ukc, resolution 2.10&Aring;" />
 '''Crystal Structure of Aspergillus niger EstA'''<br />
 ==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.
+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==
-UKC 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://ispc.weizmann.ac.il/oca-bin/ocashort?id=1UKC OCA].
+UKC 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==
@@ Line 15: / Line 15: @@
 [[Category: Bourne, Y.]]
 [[Category: Chahinian, H.]]
-[[Category: Graaff, L.H.De.]]
+[[Category: Graaff, L H.De.]]
-[[Category: Hasper, A.A.]]
+[[Category: Hasper, A A.]]
 [[Category: Juin, M.]]
 [[Category: Marchot, P.]]
@@ Line 29: / Line 29: @@
 [[Category: fungi]]
-''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Sun Nov 25 04:07:46 2007''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:25:26 2008''