Structure of IDP95031

Crystal structure of aminoglycoside acetyltransferase AAC(3)-Ib

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CSGID target
IDP95031 
PDB Id
4YFJ (NCBI MMDB) 
Authors
P.J.Stogios,Z.Xu,E.Evdokimova,V.Yim,W.F.Anderson,A.Savchenko,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Feb 25, 2015 
Release Date
Mar 18, 2015 

Annotation

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Description
Aminoglycoside antibiotics are inactivated by multiple different enzyme-catalyzed chemical modifications. The most clinically observed resistance conferring-enzyme class is aminoglycoside acetyltransferases that modify the 3-hydroxyl position, AAC(3) enzymes. This entry presents the crystal structure of AAC(3)-Ib from Pseudomonas aeruginosa. This structure may aid efforts in identifying inhibitors of AAC(3) enzymes as an avenue to rescue the activity of aminoglycoside antibiotics. 
Functional assignment
resistance 

Ligands

Ligand code Name Ligand type
SO4 sulfate crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on

Structure information

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Unit cell parameters

Space Group
P 41 21 2  
Unit Cell

a=77.02Å, b=77.02Å, c=128.66Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
24.36-2.20Å (2.32-2.20Å)  
Rall(%)
18.2 
Rwork(%)
17.9 (25.0) 
Rfree(%)
23.6 (32.0) 
Num. observed reflections
19218 (2508) 
Num. Rfree reflections
960 (133) 
Completeness(%)
90.0 (93.0) 

Model parameters

Num Atoms
2390  
Num Waters
230  
Num Hetatoms
277  
Model mean isotropic B factor
46.990Å2  
RMSD bond length
0.005Å  
RMSD bond angle
0.995°  
RMSD dihedral angle
11.975°
 
Filename uploaded
4YFJ.pdb (uploaded on Mar 18, 2015 8:01 AM)  
Inserted
Aug 22, 2014