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Hydrolase PDB-id
2j13
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PROCHECK
Protein chain
207 a.a. *
Ligands
ACT ×2
CAC
Metal ions
_ZN ×4
Waters ×179

* Residue conservation analysis
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PDB id: 2j13
Name: Hydrolase
Title: Structure of a family 4 carbohydrate esterase from bacillus anthracis

Structure:
Polysaccharide deacetylase. Chain: a. Synonym: carbohydrate esterase. Engineered: yes

Source:
Bacillus anthracis. Organism_taxid: 198094. Strain: ames. Expressed in: escherichia coli. Expression_system_taxid: 511693.

UniProt:
Q81Z49 (Q81Z49_BACAN) Pfam  
Seq: 260 a.a.
Struc: 207 a.a.*
Key:    PfamA domain  PfamB domain
 Secondary structure
* PDB and UniProt seqs differ at 1 residue position (black cross)

Resolution:
1.7Å

R-factor:
0.188

R-free:
0.230

Authors:
T.M.Gloster,L.Oberbarnscheidt,E.J.Taylor,G.J.Davies

Key ref:
L.Oberbarnscheidt et al. (2007). Structure of a carbohydrate esterase from Bacillus anthracis.. Proteins, 66, 250-252. [PubMed id: 17063474] [DOI: 10.1002/prot.21217]

Date:
08-Aug-06

Release date:
03-Oct-06
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    Key reference    
 
 
DOI no: 10.1002/prot.21217 Proteins 66:250-252 (2007)
PubMed id: 17063474  
 
 
Structure of a carbohydrate esterase from Bacillus anthracis.
L.Oberbarnscheidt, E.J.Taylor, G.J.Davies, T.M.Gloster.
 
  ABSTRACT  
 
No abstract given.

 
  Selected figure(s)  
 
Figure 1.
Figure 1. (A) Ribbon representation of BaCE4, color-ramped from N- (blue) to C- (red) terminus. Acetate and cacodylate ions are shown in ball-and-stick representation, and zinc ions are shown as spheres. (B) Active site of BaCE4, which shows a zinc ion (sphere) coordinating a cacodylate ion and an acetate ion that were all sequestered from the crystallization mother liquor, and His103 and His107. Observed electron density for the maximum likelihood weighted 2F[obs] - F[calc] map is contoured at 1.5 (0.36e Å^-3). (C) Proposed mechanism for CE4 polysaccharide deacetylation. Asp52 acts as a base by activating the nucleophilic water residue and His 201 acts as an acid to aid leaving group departure. The reaction passes through a tetrahedral transition state, which is mimicked here by the cacodylate ion.
 
  The above figure is reprinted by permission from John Wiley & Sons, Inc.: Proteins (2007, 66, 250-252) copyright 2007.  

Literature references that cite this PDB file's key reference

  PubMed id Reference
18550550 I.Ramazzina, L.Cendron, C.Folli, R.Berni, D.Monteverdi, G.Zanotti, and R.Percudani (2008).
Logical Identification of an Allantoinase Analog (puuE) Recruited from Polysaccharide Deacetylases.
  J Biol Chem, 283, 23295-23304.
PDB codes: 3cl6 3cl7 3cl8
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB codes are shown on the right.