Structure of IDP91868

Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ig from Acinetobacter haemolyticus in complex with tobramycin

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CSGID target
IDP91868 
PDB Id
4EVY (NCBI MMDB) 
Authors
P.J.Stogios,E.Evdokimova,G.Minasov,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
Apr 26, 2012 
Release Date
May 09, 2012 

Annotation

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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 structure of AAC(6')-Ig, an enzyme from the emerging pathogen Acinetobacter haemolyticus, in complex with the aminoglycoside tobramycin. The dimer is most closely related to the CSGID target IDP91869 - AAC(6')-Ih (PDB 4E8O) but reveals the mode of recognition of aminoglycoside substrates. 
Functional assignment
antibiotic resistance 

Ligands

Ligand code Name Ligand type
K crystallization
TOY tobramycin biological
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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Unit cell parameters

Space Group
P 1  
Unit Cell

a=39.72Å, b=43.79Å, c=46.28Å
α=83.65, β=87.49, γ=68.41 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
28.97-1.77Å (1.80-1.77Å)  
Rall(%)
16.9 
Rwork(%)
16.7 (34.7) 
Rfree(%)
21.3 (35.9) 
Num. observed reflections
26450 (2607) 
Num. Rfree reflections
1322 (129) 
Completeness(%)
91.9 (82.0) 

Model parameters

Num Atoms
2370  
Num Waters
223  
Num Hetatoms
296  
Model mean isotropic B factor
36.070Å2  
RMSD bond length
0.012Å  
RMSD bond angle
1.356°  
RMSD dihedral angle
15.41°
 
Filename uploaded
4EVY.pdb (uploaded on May 09, 2012 8:08 AM)  
Inserted
Apr 26, 2012