Structure of IDP00038

The crystal structure of the w180a mutant of microcin immunity protein MccF from Bacillus anthracis with the active site loop in the open conformation

Edit deposit information
CSGID target
IDP00038 
PDB Id
3SR3 (NCBI MMDB
Authors
B.Nocek,M.Zhou,M.Gu,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Boguslaw Nocek 
Responsible lab
Argonne National Laboratory 
Deposition Date
Jul 06, 2011 
Release Date
Aug 10, 2011 

Annotation

Description
Microcins are small antibiotic peptides secreted by enterobacteria. They play a critical role in mediating competition between closely related bacterial strains. The 3-dimentional structures and antibacterial mechanisms of these peptide toxins are diverse. The production, maturation, and export requires several enzymes and proteins. The MccF microcin immunity protein from Bacillus anthracis Ames strain(BaMccF) was revealed to be a homodimer and shares fold similarity with LD-carboxypeptidases(LdCa). Fold and sequence analysis revealed that MccF may act as a serine peptidase using a catalytic triad composed of Ser-His-Glu. Superimposition of BaMccf over LdCa revealed similar fold. The main difference between both structures is presence of a 27 residues insertion that forms long loop involved in binding of AMP. Mutation studies revealed possible role of the certain residues in a substrate binding. 
Functional assignment
MccF-like protein 

Ligands

Ligand code Name Ligand type

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=51.31Å, b=97.14Å, c=125.58Å
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
29.87-1.50Å (0.00-0.00Å)  
Rall(%)
15.0 
Rwork(%)
14.9 (0.0) 
Rfree(%)
17.8 (0.0) 
Num. observed reflections
98085 (0) 
Num. Rfree reflections
4884 (0) 
Completeness(%)
91.4 (0.0) 

Model parameters

Num Atoms
5075  
Num Waters
644  
Num Hetatoms
644  
Model mean isotropic B factor
18.030Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
rcsb066547.pdb (uploaded on Jul 30, 2011 4:43 PM)  
Inserted
Jul 30, 2011