Structure of IDP91779

Crystal structure of lincosamide antibiotic adenylyltransferase LnuA, apo

Edit deposit information
CSGID target
IDP91779 
PDB Id
4FO1 (NCBI MMDB
Authors
P.J.Stogios,Z.Wawrzak,G.Minasov,E.Evdokimova,O.Egorova,M Kudritska,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
Jun 20, 2012 
Release Date
Apr 04, 2012 

Annotation

Description
One mechanism of resistance to the antibiotic lincomycin, a compound that is used to treat numerous infections, is conferred by adenylation by enzymes of the lin family. In this entry, we demonstrate the structure of LinA in the apo and lincomycin-bound forms. The enzyme adopts a structure similar to LinB (PDB 3JZO), but also shows some novel features including an insertion of approximately six residues in the active site, and a novel dimerization mechanism. 
Functional assignment
nucleotidyltransferase 

Ligands

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

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=57.39Å, b=61.91Å, c=61.34Å
α=90.00, β=103.24, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.86-2.15Å (2.25-2.15Å)  
Rall(%)
21.8 
Rwork(%)
21.5 (25.0) 
Rfree(%)
26.2 (35.5) 
Num. observed reflections
23438 (2505) 
Num. Rfree reflections
1164 (130) 
Completeness(%)
97.3 (92.0) 

Model parameters

Num Atoms
2638  
Num Waters
223  
Num Hetatoms
333  
Model mean isotropic B factor
53.610Å2  
RMSD bond length
0.003Å  
RMSD bond angle
0.763°  
RMSD dihedral angle
17.343°
 
Filename uploaded
4FO1.pdb (uploaded on Apr 30, 2014 9:02 AM)  
Inserted
Mar 26, 2012