Structure of IDP52003

The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder530

Edit deposit information
CSGID target
IDP52003 
PDB Id
7JIV (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
Jul 23, 2020 
Release Date
Aug 05, 2020 

Annotation

Ligands

Ligand code Name Ligand type
VBY 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide biological
ZN biological
MES MES crystallization
CL crystallization
ACT crystallization

Structure information

Unit cell parameters

Space Group
I 41 2 2  
Unit Cell

a=113.58Å, b=113.58Å, c=220.03Å
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
45.42-2.05Å (2.10-2.05Å)  
Rall(%)
18.9 
Rwork(%)
18.8 (34.1) 
Rfree(%)
20.1 (34.0) 
Num. observed reflections
45422 (3288) 
Num. Rfree reflections
2180 (158) 
Completeness(%)
99.8 (98.9) 

Model parameters

Num Atoms
2496  
Num Waters
157  
Num Hetatoms
208  
Model mean isotropic B factor
61.080Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.668°  
Filename uploaded
7jiv.pdb (uploaded on Aug 17, 2020 11:09 AM)  
Inserted
Aug 17, 2020