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Structure of IDP00272

Crystal structure analysis of dengue-1 envelope protein domain III

Edit deposit information
CSGID target
IDP00272 
PDB Id
3IRC (NCBI MMDB
Authors
C.A.Nelson,T.Kim,J.T.Warren,M.Chruszcz,W.Minor,D.H.Fremont,Center For Structural Genomics Of Infectious Diseases (Csgid) 
Responsible person
Chris Nelson 
Responsible lab
Washington University 
Deposition Date
Aug 21, 2009 
Release Date
Sep 29, 2009 

Annotation

Description
The Dengue Virus envelope protein can be divided into 3 subdomains; I, II, and III. The fold of subdomain III is unique to the flaviviruses and may contain sites for protein binding. Several neutralizing antibodies against Dengue Virus have been described that bind specifically to domain III. 
Functional assignment
Neutralizing antibody target  

Ligands

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

Structure information

Unit cell parameters

Space Group
P 21 3  
Unit Cell

a=88.09Å, b=88.09Å, c=88.09Å
α=90.00, β=90.00, γ=90.00 
Solvent content
75.77  
Matthews coefficient
5.08  

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
35.97-2.20Å (2.26-2.20Å)  
Rall(%)
21.4 
Rwork(%)
21.3 (32.2) 
Rfree(%)
23.0 (33.8) 
Num. observed reflections
11645 (825) 
Num. Rfree reflections
547 (41) 
Completeness(%)
99.0 (98.3) 

Model parameters

Num Atoms
860  
Num Waters
53  
Num Hetatoms
0  
Model mean isotropic B factor
24.170Å2  
RMSD bond length
0.024Å  
RMSD bond angle
1.530°  
Filename uploaded
hkl_refmac_60.pdb (uploaded on Aug 26, 2009 4:32 PM)  
Inserted
Aug 26, 2009