Structure of IDP52005

The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated analog of masitinib

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CSGID target
IDP52005 
PDB Id
7TVS (NCBI MMDB) 
Authors
Tan, K., Maltseva, N.I., Endres, M.J., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Kemin Tan 
Responsible lab
Argonne National Laboratory 
Deposition Date
Feb 05, 2022 
Release Date
Feb 16, 2022 

Annotation

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Ligands

Ligand code Name Ligand type
XNJ biological
DMS crystallization

Structure information

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Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=97.08Å, b=80.89Å, c=51.91Å
α=90.00, β=114.33, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
43.41-1.89Å (0.00-0.00Å)  
Rall(%)
19.1 
Rwork(%)
18.9 (0.0) 
Rfree(%)
22.5 (0.0) 
Num. observed reflections
30068 (0) 
Num. Rfree reflections
1464 (0) 
Completeness(%)
97.2 (0.0) 

Model parameters

Num Atoms
2322  
Num Waters
46  
Num Hetatoms
89  
Model mean isotropic B factor
45.410Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
D_1000262994_model-annotate_P1.pdb (uploaded on Mar 14, 2022 2:55 PM)  
Inserted
Mar 14, 2022