Structure of IDP91809

In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity.

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CSGID target
IDP91809 
PDB Id
4IBE (NCBI MMDB) 
Authors
'C.S.Brown,D.W.Leung,W.Xu,D.M.Borek,Z.Otwinowski,P.Ramanan,A.J.Stubbs,D.S.Peterson,J.M.Binning,G.K.Amarasinghe,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Dominika Borek 
Responsible lab
University of Texas Southwestern Medical Center 
Deposition Date
Dec 08, 2012 
Release Date
Mar 19, 2014 

Annotation

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Ligands

Ligand code Name Ligand type
GOL glycerol crystallization
175 3,5-dihydro-5-methylidene-4h-imidazol-4-on biological

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=51.57Å, b=65.51Å, c=72.16Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
48.50-1.95Å (0.00-0.00Å)  
Rall(%)
18.7 
Rwork(%)
18.2 (0.0) 
Rfree(%)
23.3 (0.0) 
Num. observed reflections
16585 (0) 
Num. Rfree reflections
1646 (0) 
Completeness(%)
80.2 (0.0) 

Model parameters

Num Atoms
1962  
Num Waters
163  
Num Hetatoms
231  
Model mean isotropic B factor
26.730Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
4IBE.pdb (uploaded on May 02, 2014 9:54 PM)  
Inserted
May 02, 2014