Structure of IDP52005

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

Edit deposit information
CSGID target
IDP52005 
PDB Id
7L5D (NCBI MMDB
Authors
K.Tan, N.I.Maltseva, R.P.Jedrzejczak, A.Joachimiak, Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Kemin Tan 
Responsible lab
Argonne National Laboratory 
Deposition Date
Dec 21, 2020 
Release Date
Dec 30, 2020 

Annotation

Ligands

Ligand code Name Ligand type
XNJ biological
DMS crystallization
GOL glycerol crystallization

Structure information

Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=97.44Å, b=81.30Å, c=51.56Å
α=90.00, β=114.41, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
44.36-1.58Å (0.00-0.00Å)  
Rall(%)
17.8 
Rwork(%)
17.7 (0.0) 
Rfree(%)
20.1 (0.0) 
Num. observed reflections
52069 (0) 
Num. Rfree reflections
2561 (0) 
Completeness(%)
99.1 (0.0) 

Model parameters

Num Atoms
2388  
Num Waters
191  
Num Hetatoms
280  
Model mean isotropic B factor
29.280Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
D_1000253729_model-annotate_P1.pdb (uploaded on Mar 04, 2021 11:22 AM)  
Inserted
Mar 04, 2021