Structure of IDP52003

The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder441

Edit deposit information
CSGID target
IDP52003 
PDB Id
7JN2 (NCBI MMDB
Authors
Osipiuk, J., Tesar, C., Endres, M., Lisnyak, V., Maki, S., Taylor, C., Zhang, Y., Zhou, Z., Azizi, S.A., Jones, K., Kathayat, R., Snyder, S.A., Dickinson, B.C., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Jerzy Osipiuk 
Responsible lab
Argonne National Laboratory 
Deposition Date
Aug 03, 2020 
Release Date
Aug 12, 2020 

Annotation

Ligands

Ligand code Name Ligand type
Y41 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide biological
ZN biological
CL crystallization
ACT crystallization
UNX Unknown atom crystallization

Structure information

Unit cell parameters

Space Group
I 41 2 2  
Unit Cell

a=114.76Å, b=114.76Å, c=217.53Å
α=90.00, β=90.00, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
45.22-1.93Å (1.98-1.93Å)  
Rall(%)
18.7 
Rwork(%)
18.6 (35.2) 
Rfree(%)
20.9 (37.3) 
Num. observed reflections
54897 (3910) 
Num. Rfree reflections
2744 (201) 
Completeness(%)
99.8 (97.0) 

Model parameters

Num Atoms
2501  
Num Waters
210  
Num Hetatoms
251  
Model mean isotropic B factor
54.380Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.567°  
Filename uploaded
7jn2.pdb (uploaded on Aug 17, 2020 11:15 AM)  
Inserted
Aug 17, 2020