Structure of IDP91868

Crystal structure of aminoglycoside antibiotic 6'-N-acetyltransferase AAC(6')-Ig from Acinetobacter haemolyticus, apo

Edit deposit information
CSGID target
IDP91868 
PDB Id
4F0Y (NCBI MMDB
Authors
P.J.Stogios,E.Evdokimova,A.Dong,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
May 05, 2012 
Release Date
May 16, 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')-Ig, an enzyme from the emerging pathogen Acinetobacter haemolyticus. 
Functional assignment
antibiotic resistance 

Ligands

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

Structure information

Unit cell parameters

Space Group
P 1  
Unit Cell

a=37.96Å, b=44.02Å, c=46.58Å
α=83.19, β=87.44, γ=72.65 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
24.07-2.56Å (2.72-2.56Å)  
Rall(%)
18.4 
Rwork(%)
18.1 (25.9) 
Rfree(%)
24.0 (37.8) 
Num. observed reflections
9328 (2497) 
Num. Rfree reflections
473 (130) 
Completeness(%)
85.3 (81.0) 

Model parameters

Num Atoms
2316  
Num Waters
84  
Num Hetatoms
101  
Model mean isotropic B factor
39.220Å2  
RMSD bond length
0.004Å  
RMSD bond angle
0.655°  
RMSD dihedral angle
12.953°
 
Filename uploaded
4F0Y.pdb (uploaded on May 16, 2012 9:44 AM)  
Inserted
May 05, 2012