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Structure of IDP02453

Crystal Structure of Maltose O-Acetyl transferase Complexed with Acetyl Coenzyme A from Bacillus anthracis

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CSGID target
IDP02453 
PDB Id
3IGJ (NCBI MMDB) 
Authors
N.Maltseva,Y.Kim,L.Papazisi,W.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Jul 27, 2009 
Release Date
Aug 04, 2009 

Annotation

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Description
This maltose O-acetyltransferase, a member of the hexapeptide-repeat family with a trimeric left-handed parallel beta-helix, transfers an acetyl group from acetyl-CoA to a sugar moiety. In the structure, CoA molecules are located between the two beta-helical chains. 
Functional assignment
 

Ligands

Ligand code Name Ligand type
SO4 sulfate
GOL glycerol
FMT formate
ACX alpha-cyclodextrin (cyclohexa-amylose)
MSE modified residue

Structure information

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Unit cell parameters

Space Group
P 41 21 2  
Unit Cell

a=121.97Å, b=121.97Å, c=142.44Å
α=90.00, β=90.00, γ=90.00 
Solvent content
71  
Matthews coefficient
4.24  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
41.59-2.60Å (2.68-2.60Å)  
Rall(%)
17.5 
Rwork(%)
17.3 (23.1) 
Rfree(%)
21.3 (32.7) 
Num. observed reflections
34815 (2618) 
Num. Rfree reflections
1765 (133) 
Completeness(%)
98.3 (96.0) 

Model parameters

Num Atoms
4731  
Num Waters
176  
Num Hetatoms
0  
Model mean isotropic B factor
52.620Å2  
RMSD bond length
0.011Å  
RMSD bond angle
1.437°  
RMSD dihedral angle
20.667°
 
Filename uploaded
dep1w.pdb (uploaded on Jul 31, 2009 8:36 AM)  
Inserted
Jul 31, 2009