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Structure of IDP00422

Crystal structure of the adenylosuccinate synthetase from Yersinia pestis CO92

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CSGID target
IDP00422 
PDB Id
3HID (NCBI MMDB) 
Authors
R.Zhang,M.Zhou,S.Peterson,W.Anderson,A.Joachimiak,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Rong-guang Zhang 
Responsible lab
Argonne National Laboratory 
Deposition Date
May 19, 2009 
Release Date
Jun 02, 2009 

Annotation

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Description
Adenylosuccinate synthetase catalyzes the first committed step in the de novo biosynthesis of AMP, coupling L-aspartate and IMP to form adenylosuccinate. This enzyme adenylosuccinate synthetase (AdSS) has long been extensively studied, a wealth of kinetic data has been accumulated. The crystal structure Of Fully Ligated Adenylosuccinate Synthetase From Plasmodium Falciparum also has been published in 2003 in J.M.B. Our structure is quite similar to that. 
Functional assignment
Adenylosuccinate synthetase  

Ligands

Ligand code Name Ligand type
PG6 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane

Structure information

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Unit cell parameters

Space Group
P 43 21 2  
Unit Cell

a=68.90Å, b=68.90Å, c=199.17Å
α=90.00, β=90.00, γ=90.00 
Solvent content
50.74  
Matthews coefficient
2.5  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
56.70-1.60Å (1.64-1.60Å)  
Rall(%)
16.2 
Rwork(%)
16.0 (20.1) 
Rfree(%)
19.8 (24.9) 
Num. observed reflections
64044 (4573) 
Num. Rfree reflections
3266 (214) 
Completeness(%)
99.7 (98.2) 

Model parameters

Num Atoms
3938  
Num Waters
651  
Num Hetatoms
0  
Model mean isotropic B factor
15.000Å2  
RMSD bond length
0.017Å  
RMSD bond angle
1.661°  
Filename uploaded
IDP422_2pdb.pdb (uploaded on May 20, 2009 5:20 PM)  
Inserted
May 20, 2009