Structure of IDP91869

Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ih from Acinetobacter baumannii

Edit deposit information
CSGID target
IDP91869 
PDB Id
4E8O (NCBI MMDB
Authors
P.J.Stogios,G.Minasov,A.Dong,E.Evdokimova,V.Yim,P.Courvalin,A.Savchenko,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Mar 20, 2012 
Release Date
Apr 04, 2012 

Annotation

Description
Resistance to aminoglycoside antibiotics is mediated by chemical modifications including phosphorylation, nucleotidylation and acetylation. The largest family of aminoglycoside-modifying enzymes are the amino glycoside 6'-N-acetyltransferase (AAC) enzymes. There are at least 60 of these enzymes but only structural knowledge of five at the time of this structure determination. Here we present the apo structure of AAC(6')-Ih, an enzyme from the emerging pathogen Acinetobacter baumanni. The dimer is most closely related to the dimeric AAC(6')-Iy (PDB 1S3Z) but shows different active site features from further structural homologs including E. coli AAC(6')-Ib (PDB 1V0C). These active site features may resault in an altered substrate specificity spectrum and will be the focus of further studies. 
Functional assignment
acetyltransferase 

Ligands

Ligand code Name Ligand type
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

Unit cell parameters

Space Group
P 1  
Unit Cell

a=39.96Å, b=46.05Å, c=46.08Å
α=102.55, β=97.13, γ=111.21 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
23.50-2.14Å (2.30-2.14Å)  
Rall(%)
18.8 
Rwork(%)
18.6 (21.2) 
Rfree(%)
22.8 (24.7) 
Num. observed reflections
16147 (2993) 
Num. Rfree reflections
808 (150) 
Completeness(%)
95.4 (92.0) 

Model parameters

Num Atoms
2384  
Num Waters
137  
Num Hetatoms
147  
Model mean isotropic B factor
37.260Å2  
RMSD bond length
0.004Å  
RMSD bond angle
0.805°  
RMSD dihedral angle
14.564°
 
Filename uploaded
4E8O.pdb (uploaded on Apr 06, 2012 2:02 PM)  
Inserted
Mar 29, 2012