Structure of IDP91101

Crystal Structure of Superantigen-like Protein, Exotoxin from Staphylococcus aureus subsp. aureus NCTC 8325

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CSGID target
IDP91101 
PDB Id
3URY (NCBI MMDB) 
Authors
'E.V.Filippova,G.Minasov,L.Shuvalova,A.Halavaty,J.Winsor,I.Dubrovska,F.Bagnoli,F.Falugi,M.Bottomley,G.Grandi,W.F.Anderson,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Ekaterina Filippova 
Responsible lab
Northwestern University 
Deposition Date
Nov 22, 2011 
Release Date
Dec 28, 2011 

Annotation

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Description
The staphylococcal superantigen-like proteins (SSLs) are a family of polymorphic paralogs encoded in the Staphylococcus aureus genome whose function is unknown. Here, we report crystal structure of SSL (SAOUHSC_00389) determined at 1.9 A resolution. The crystal structure of SSL (SAOUHSC_00389) was compared to other SSLs and that of a classical superantigen, streptococcal pyrogenic exotoxin. The ability of these secreted proteins to target antigen-presenting cells may enhance a misplaced antibody response against the proteins, which may facilitate bacterial colonization. Like classical superantigens, therefore, SSL (SAOUHSC_00389) may distract the host's immune system, but it may do so via entirely different molecular mechanism.  
Functional assignment
 

Ligands

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

Structure information

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Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=94.73Å, b=79.56Å, c=55.35Å
α=90.00, β=103.16, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
28.68-1.90Å (1.95-1.90Å)  
Rall(%)
19.1 
Rwork(%)
18.8 (30.6) 
Rfree(%)
24.7 (36.8) 
Num. observed reflections
30773 (1884) 
Num. Rfree reflections
1538 (68) 
Completeness(%)
97.8 (83.1) 

Model parameters

Num Atoms
3144  
Num Waters
93  
Num Hetatoms
100  
Model mean isotropic B factor
44.960Å2  
RMSD bond length
0.017Å  
RMSD bond angle
2.061°  
Filename uploaded
rcsb069134.pdb (uploaded on Dec 14, 2011 1:56 PM)  
Inserted
Dec 14, 2011