Structure of IDP52003

Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2.

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CSGID target
IDP52003 
PDB Id
6VXS (NCBI MMDB) 
Authors
Kim, Y., Jedrzejczak, R., Maltseva, N., Endres, M., Godzik, A., Michalska, K., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Youngchang Kim 
Responsible lab
Argonne National Laboratory 
Deposition Date
Feb 24, 2020 
Release Date
Mar 04, 2020 

Annotation

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Ligands

Ligand code Name Ligand type
LIG 3-pyridin-4-yl-2,4-dihydro-indeno[1,2-.c.]pyrazole crystallization
SO4 sulfate crystallization
EDO ethylene diol crystallization

Structure information

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Unit cell parameters

Space Group
P 1  
Unit Cell

a=30.39Å, b=37.90Å, c=65.40Å
α=84.37, β=82.11, γ=90.11 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
37.71-2.03Å (2.18-2.02Å)  
Rall(%)
18.9 
Rwork(%)
18.6 (23.6) 
Rfree(%)
23.4 (29.6) 
Num. observed reflections
16549 (2510) 
Num. Rfree reflections
807 (134) 
Completeness(%)
84.8 (68.0) 

Model parameters

Num Atoms
2526  
Num Waters
278  
Num Hetatoms
328  
Model mean isotropic B factor
24.800Å2  
RMSD bond length
0.003Å  
RMSD bond angle
0.513°  
RMSD dihedral angle
14.36°
 
Filename uploaded
ADRP_Apo.pdb (uploaded on Mar 16, 2020 6:17 PM)  
Inserted
Mar 16, 2020