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Structure of IDP90549

Phosphopantetheine adenylyltransferase from Yersinia pestis.

Edit deposit information
CSGID target
IDP90549 
PDB Id
3L93 (NCBI MMDB
Authors
J.Osipiuk,N.Maltseva,M.Makowska-Grzyska,K.Kwon,W.F.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Jerzy Osipiuk 
Responsible lab
Argonne National Laboratory 
Deposition Date
Jan 04, 2010 
Release Date
Jan 19, 2010 

Annotation

Description
Phosphopantetheine adenylyltransferase (PPAT) catalyzes the conversion of ATP and pantetheine 4'-phosphate (PhP) to pyrophosphate (PPi) and 3'-dephospho-CoA (dPCoA). This reaction is known as the penultimate step in the coenzyme A (CoA) biosynthetic pathway and has been shown to be a rate-limiting step in the biosynthesis of CoA. PPAT is part of the nucleotidyltransferase α/β phosphodiesterase superfamily, which includes nicotinate mononucleotide adenylyltransferase (NMAT) and glycerol 3-phosphate cytidylyltransferase. PPAT was identified as an attractive antimicrobial drug target in the CoA biosynthesis pathway due to its broad-spectrum nature and the lack of similarity between bacterial and human enzymes. 
Functional assignment
Transferase 

Ligands

Ligand code Name Ligand type
FMT

Structure information

Unit cell parameters

Space Group
H 3 2  
Unit Cell

a=115.51Å, b=115.51Å, c=117.09Å
α=90.00, β=90.00, γ=120.00 
Solvent content
70.63  
Matthews coefficient
4.19  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
76.06-2.16Å (2.22-2.16Å)  
Rall(%)
17.7 
Rwork(%)
17.5 (25.2) 
Rfree(%)
21.0 (33.7) 
Num. observed reflections
16216 (1161) 
Num. Rfree reflections
810 (61) 
Completeness(%)
99.6 (96.5) 

Model parameters

Num Atoms
1404  
Num Waters
79  
Num Hetatoms
0  
Model mean isotropic B factor
34.290Å2  
RMSD bond length
0.019Å  
RMSD bond angle
1.667°  
Filename uploaded
idp90549.pdb (uploaded on Jan 18, 2010 1:55 PM)  
Inserted
Jan 18, 2010