Structure of IDP52003

The crystal structure of Papain-Like Protease of SARS CoV-2 , C111S mutant, in complex with PLP_Snyder457

Edit deposit information
CSGID target
IDP52003 
PDB Id
7JIR (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
TTT 5-amino-2-methyl-n-[(1r)-1-naphthalen-1-ylethyl]benzami de biological
ZN biological
CL crystallization
MES MES crystallization
ACT crystallization

Structure information

Unit cell parameters

Space Group
I 41 2 2  
Unit Cell

a=113.86Å, b=113.86Å, c=219.58Å
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
49.65-2.09Å (2.14-2.09Å)  
Rall(%)
18.7 
Rwork(%)
18.6 (32.0) 
Rfree(%)
20.0 (35.0) 
Num. observed reflections
42938 (2991) 
Num. Rfree reflections
2146 (137) 
Completeness(%)
99.5 (95.2) 

Model parameters

Num Atoms
2495  
Num Waters
139  
Num Hetatoms
187  
Model mean isotropic B factor
62.680Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.621°  
Filename uploaded
7jir.pdb (uploaded on Aug 17, 2020 11:12 AM)  
Inserted
Aug 17, 2020