Structure of IDP91041

Crystal structure of transcriptional regulator VanUg, form II

Edit deposit information
CSGID target
IDP91041 
PDB Id
3TYS (NCBI MMDB
Authors
P.J.Stogios,E.Evdokimova,Z.Wawrzak,F.Depardieu,P.Courvalin,I.Shabalin,M.Chruszcz,W.Minor,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 26, 2011 
Release Date
Oct 12, 2011 

Annotation

Description
The antibiotic vancomycin exerts its action by binding to an intermediate component of the bacterial cell wall synthesis pathway and inhibits the maturation of the cell wall. Vancomycin resistance type VanG is mediated by enzymes that modify peptidoglycan cell wall precursors such that they contain serine substituted for alanine; this single point mutation results in drastic decrease in the binding of vancomycin. One of the genes in the VanG operon is VanUg, which is a predicted transcription regulator of the expression of the VanG-type vancomycin resistance enzymes. This crystal structure shows VanUg adopts a helix-turn-helix (HTH) fold, typical of many bacterial transcription factors. This structure may assist with the understanding of the biology of VanG-type vancomycin resistance, and therefore may assist with the development of novel therapeutics to alleviate this type of antibiotic resistance. 
Functional assignment
transcription regulator 

Ligands

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

Structure information

Unit cell parameters

Space Group
P 2 21 21  
Unit Cell

a=28.50Å, b=39.31Å, c=61.94Å
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
33.19-1.12Å (1.16-1.12Å)  
Rall(%)
14.1 
Rwork(%)
14.0 (18.9) 
Rfree(%)
16.3 (19.9) 
Num. observed reflections
28142 (2519) 
Num. Rfree reflections
1404 (119) 
Completeness(%)
97.7 (93.0) 

Model parameters

Num Atoms
1071  
Num Waters
131  
Num Hetatoms
173  
Model mean isotropic B factor
12.150Å2  
RMSD bond length
0.025Å  
RMSD bond angle
1.967°  
RMSD dihedral angle
12.055°
 
Filename uploaded
3TYS.pdb (uploaded on Oct 12, 2011 2:59 PM)  
Inserted
Jul 29, 2011