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Structure of IDP01892

2.09 Angstrom resolution structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-1) from Bacillus anthracis str. 'Ames Ancestor' in complex with GMP

Edit deposit information
CSGID target
IDP01892 
PDB Id
3KB8 (NCBI MMDB
Authors
A.S.Halavaty,G.Minasov,L.Shuvalova,I.Dubrovska,J.Winsor,L.Papazisi,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Andrei Halavaty 
Responsible lab
Northwestern University 
Deposition Date
Oct 20, 2009 
Release Date
Oct 27, 2009 

Annotation

Description
The hpt-1 from the Bacillus anthracis str. 'Ames Ancestor' was co-crystallized with its product, GMP, and structure was solved by molecular replacement using the 3H83 structure as a model. Crystals of the GMP-complexed protein were obtained at the same conditions as of 3H83, which has cryo-protectant molecule (sucrose) bound in the vicinity of the active site. Due to the same packing, two structures favored association only of two molecules of the product or sucrose with the same two out of four protein molecules per asymmetric unit. These structures differ from the MES-bound hpt-1 structure (PDB ID 3HVU) only in the packing pattern of the N-terminal purification tag. Three polypeptides have very low rmsd values when superimposed in pairs and with residues V148 through V153 only undergoing structural perturbation upon binding of the ligands.  
Functional assignment
Transferase 

Ligands

Ligand code Name Ligand type
5GP guanosine-5'-monophosphate biological
PO4
SUC
MG
GOL

Structure information

Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=54.22Å, b=80.48Å, c=120.24Å
α=90.00, β=101.24, γ=90.00 
Solvent content
56.07  
Matthews coefficient
2.8  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
30.08-2.09Å (2.14-2.09Å)  
Rall(%)
20.6 
Rwork(%)
20.4 (22.4) 
Rfree(%)
24.3 (26.2) 
Num. observed reflections
56532 (4391) 
Num. Rfree reflections
2826 (207) 
Completeness(%)
93.9 (98.9) 

Model parameters

Num Atoms
5975  
Num Waters
253  
Num Hetatoms
495  
Model mean isotropic B factor
24.230Å2  
RMSD bond length
0.014Å  
RMSD bond angle
1.696°  
Filename uploaded
3KB8.pdb (uploaded on Sep 17, 2010 7:04 PM)  
Inserted
Oct 21, 2009