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Structure of IDP02453

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

Edit deposit information
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

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
GOL
FMT
ACX alpha-cyclodextrin (cyclohexa-amylose)
MSE modified residue

Structure information

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