Structure of IDP52003

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

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CSGID target
IDP52003 
PDB Id
7JIW (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

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Ligands

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

Structure information

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Unit cell parameters

Space Group
I 41 2 2  
Unit Cell

a=113.65Å, b=113.65Å, c=220.57Å
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
45.51-2.30Å (2.36-2.30Å)  
Rall(%)
21.4 
Rwork(%)
21.2 (38.9) 
Rfree(%)
24.0 (39.5) 
Num. observed reflections
32279 (2336) 
Num. Rfree reflections
1549 (111) 
Completeness(%)
99.9 (98.6) 

Model parameters

Num Atoms
2426  
Num Waters
32  
Num Hetatoms
79  
Model mean isotropic B factor
82.630Å2  
RMSD bond length
0.006Å  
RMSD bond angle
1.489°  
Filename uploaded
7jiw.pdb (uploaded on Aug 17, 2020 11:04 AM)  
Inserted
Aug 17, 2020