1ukc
From Proteopedia
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|PDB= 1ukc |SIZE=350|CAPTION= <scene name='initialview01'>1ukc</scene>, resolution 2.10Å | |PDB= 1ukc |SIZE=350|CAPTION= <scene name='initialview01'>1ukc</scene>, resolution 2.10Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand= | + | |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> |
|ACTIVITY= | |ACTIVITY= | ||
|GENE= EstA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5061 Aspergillus niger]) | |GENE= EstA ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=5061 Aspergillus niger]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |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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[[Category: Juin, M.]] | [[Category: Juin, M.]] | ||
[[Category: Marchot, P.]] | [[Category: Marchot, P.]] | ||
| - | [[Category: CL]] | ||
| - | [[Category: EDO]] | ||
| - | [[Category: MAN]] | ||
| - | [[Category: NAG]] | ||
| - | [[Category: SO4]] | ||
[[Category: a/b hydrolase fold]] | [[Category: a/b hydrolase fold]] | ||
[[Category: acetylcholinesterase]] | [[Category: acetylcholinesterase]] | ||
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[[Category: fungi]] | [[Category: fungi]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:11:24 2008'' |
Revision as of 21:11, 30 March 2008
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| , resolution 2.10Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , , , , | ||||||
| Gene: | EstA (Aspergillus niger) | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| 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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