Structure of IDP52003

Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with a Lys48-linked di-ubiquitin

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CSGID target
IDP52003 
PDB Id
7RBR (NCBI MMDB) 
Authors
Osipiuk, J., Tesar, C., Endres, M., Lanham, B.T., Wydorski, P., Fushman, D., Joachimiak, L., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Jerzy Osipiuk 
Responsible lab
Argonne National Laboratory 
Deposition Date
Jul 06, 2021 
Release Date
Sep 29, 2021 

Annotation

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Ligands

Ligand code Name Ligand type
ZN zinc biological
CL chloride crystallization
EDO ethylene diol crystallization

Structure information

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Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=148.05Å, b=50.14Å, c=71.93Å
α=90.00, β=111.84, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
47.14-1.88Å (1.93-1.88Å)  
Rall(%)
18.9 
Rwork(%)
18.7 (32.2) 
Rfree(%)
22.8 (34.7) 
Num. observed reflections
38678 (2190) 
Num. Rfree reflections
1895 (111) 
Completeness(%)
95.9 (73.8) 

Model parameters

Num Atoms
3120  
Num Waters
169  
Num Hetatoms
180  
Model mean isotropic B factor
43.870Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.588°  
Filename uploaded
PLpro_Ub_7RBR.pdb (uploaded on Oct 25, 2021 10:28 AM)  
Inserted
Oct 25, 2021