Structure of IDP91809

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

Edit deposit information
CSGID target
IDP91809 
PDB Id
4IBF (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

Ligands

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

Structure information

Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=51.47Å, b=65.95Å, c=72.01Å
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
40.58-2.29Å (0.00-0.00Å)  
Rall(%)
18.4 
Rwork(%)
18.0 (0.0) 
Rfree(%)
26.0 (0.0) 
Num. observed reflections
10870 (0) 
Num. Rfree reflections
526 (0) 
Completeness(%)
89.9 (0.0) 

Model parameters

Num Atoms
1913  
Num Waters
93  
Num Hetatoms
155  
Model mean isotropic B factor
32.900Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
4IBF.pdb (uploaded on May 02, 2014 10:01 PM)  
Inserted
May 02, 2014