Structure of IDP52005

The crystal structure of SARS-CoV-2 Main Protease in complex with masitinib

Edit deposit information
CSGID target
IDP52005 
PDB Id
7JU7 (NCBI MMDB
Authors
K. Tan, N.I. Maltseva, L.F. Welk, R.P. Jedrzejczak, A. Joachimiak, Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Kemin Tan 
Responsible lab
Argonne National Laboratory 
Deposition Date
Aug 19, 2020 
Release Date
 

Annotation

Ligands

Ligand code Name Ligand type
G65 biological
DMS crystallization
GOL crystallization

Structure information

Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=98.59Å, b=81.30Å, c=51.86Å
α=90.00, β=114.62, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
43.50-1.60Å (0.00-0.00Å)  
Rall(%)
17.0 
Rwork(%)
16.9 (0.0) 
Rfree(%)
19.1 (0.0) 
Num. observed reflections
49903 (0) 
Num. Rfree reflections
2455 (0) 
Completeness(%)
97.1 (0.0) 

Model parameters

Num Atoms
2401  
Num Waters
195  
Num Hetatoms
247  
Model mean isotropic B factor
33.580Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
3CLs_X1_Final.pdb (uploaded on Sep 09, 2020 1:29 PM)  
Inserted
Sep 09, 2020