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

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

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