1w1a

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[[Image:1w1a.gif|left|200px]]<br /><applet load="1w1a" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1w1a.gif|left|200px]]
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caption="1w1a, resolution 2.25&Aring;" />
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'''STRUCTURE OF BACILLUS SUBTILIS PDAA IN COMPLEX WITH NAG, A FAMILY 4 CARBOHYDRATE ESTERASE.'''<br />
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{{Structure
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|PDB= 1w1a |SIZE=350|CAPTION= <scene name='initialview01'>1w1a</scene>, resolution 2.25&Aring;
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|SITE= <scene name='pdbsite=1:Ndg+Binding+Site+For+Chain+2'>1</scene>
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|LIGAND= <scene name='pdbligand=NDG:2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE'>NDG</scene>, <scene name='pdbligand=CD:CADMIUM+ION'>CD</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
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|ACTIVITY=
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|GENE=
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}}
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'''STRUCTURE OF BACILLUS SUBTILIS PDAA IN COMPLEX WITH NAG, A FAMILY 4 CARBOHYDRATE ESTERASE.'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1W1A is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis] with <scene name='pdbligand=NDG:'>NDG</scene>, <scene name='pdbligand=CD:'>CD</scene> and <scene name='pdbligand=GOL:'>GOL</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Known structural/functional Site: <scene name='pdbsite=1:Ndg+Binding+Site+For+Chain+2'>1</scene>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W1A OCA].
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1W1A is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_subtilis Bacillus subtilis]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1W1A OCA].
==Reference==
==Reference==
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Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine., Blair DE, van Aalten DM, FEBS Lett. 2004 Jul 16;570(1-3):13-9. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15251431 15251431]
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Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine., Blair DE, van Aalten DM, FEBS Lett. 2004 Jul 16;570(1-3):13-9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/15251431 15251431]
[[Category: Bacillus subtilis]]
[[Category: Bacillus subtilis]]
[[Category: Single protein]]
[[Category: Single protein]]
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[[Category: sporulation]]
[[Category: sporulation]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:39:24 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 14:50:40 2008''

Revision as of 12:50, 20 March 2008


PDB ID 1w1a

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, resolution 2.25Å
Sites:
Ligands: , and
Coordinates: save as pdb, mmCIF, xml



STRUCTURE OF BACILLUS SUBTILIS PDAA IN COMPLEX WITH NAG, A FAMILY 4 CARBOHYDRATE ESTERASE.


Overview

Family 4 carbohydrate esterases deacetylate polymeric carbohydrate substrates such as chitin, acetyl xylan and peptidoglycan. Although some of these enzymes have recently been enzymologically characterised, neither their structure nor their reaction mechanism has been defined. Sequence conservation in this family has pointed to a conserved core, termed the NodB homology domain. We describe the cloning, purification and 1.9 A crystal structure of PdaA, a peptidoglycan deacetylase from Bacillus subtilis. The enzyme assumes a fold related to a (beta/alpha)8 barrel, with a long groove on the surface of the protein that harbours all conserved residues. A complex with the substrate analogue N-acetyl-glucosamine was refined to 2.25 A resolution, revealing interactions of an aspartic acid and three histidines, all conserved in the NodB homology domain, with the ligand. The PdaA structure provides a template for interpreting the wealth of sequence data on family 4 carbohydrate esterases in a structural context and represents a first step towards understanding the reaction mechanism of this family of enzymes.

About this Structure

1W1A is a Single protein structure of sequence from Bacillus subtilis. Full crystallographic information is available from OCA.

Reference

Structures of Bacillus subtilis PdaA, a family 4 carbohydrate esterase, and a complex with N-acetyl-glucosamine., Blair DE, van Aalten DM, FEBS Lett. 2004 Jul 16;570(1-3):13-9. PMID:15251431

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