Structure of IDP91546

Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus

Edit deposit information
CSGID target
IDP91546 
PDB Id
4MYO (NCBI MMDB
Authors
P.J.Stogios,G.Minasov,A.Dong,E.Evdokimova,V.Yim,M.Krishnamoorthy,R.Di Leo,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
Sep 27, 2013 
Release Date
Oct 16, 2013 

Annotation

Description
Resistance to streptogramin group A antibiotics (virginiamycin, dalfopristin) is mediated by Vat enzymes, which specifically acetylate the compounds. In this structure we present the apo structure of VatA. The structure is trimeric and is highly similar to the structure of VatD but shows some sequence substitutions in the active site. This structure will be helpful for understanding substrate specificity and for inhibitor design. 
Functional assignment
acetyltransferase 

Ligands

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

Structure information

Unit cell parameters

Space Group
C 2 2 21  
Unit Cell

a=91.84Å, b=184.04Å, c=96.91Å
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
24.67-2.70Å (2.82-2.70Å)  
Rall(%)
19.3 
Rwork(%)
19.0 (24.9) 
Rfree(%)
25.4 (31.1) 
Num. observed reflections
24101 (2774) 
Num. Rfree reflections
1205 (139) 
Completeness(%)
99.7 (98.0) 

Model parameters

Num Atoms
5094  
Num Waters
115  
Num Hetatoms
142  
Model mean isotropic B factor
51.990Å2  
RMSD bond length
0.003Å  
RMSD bond angle
0.691°  
RMSD dihedral angle
10.774°
 
Filename uploaded
4MYO.pdb (uploaded on Nov 22, 2013 11:06 AM)  
Inserted
Mar 29, 2012