Structure of IDP52003

Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor

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CSGID target
IDP52003 
PDB Id
7RZC (NCBI MMDB) 
Authors
Osipiuk, J., Tesar, C., Endres, M., Wang, J., Joachimiak, A., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Jerzy Osipiuk 
Responsible lab
Argonne National Laboratory 
Deposition Date
Aug 27, 2021 
Release Date
Sep 08, 2021 

Annotation

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Ligands

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

Structure information

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Unit cell parameters

Space Group
P 21 21 21  
Unit Cell

a=98.52Å, b=113.44Å, c=127.03Å
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
49.31-2.04Å (2.09-2.04Å)  
Rall(%)
17.9 
Rwork(%)
17.8 (30.2) 
Rfree(%)
21.2 (29.3) 
Num. observed reflections
90415 (6122) 
Num. Rfree reflections
4430 (295) 
Completeness(%)
99.3 (91.3) 

Model parameters

Num Atoms
7593  
Num Waters
456  
Num Hetatoms
575  
Model mean isotropic B factor
48.750Å2  
RMSD bond length
0.009Å  
RMSD bond angle
1.570°  
Filename uploaded
D_1000259280_model-annotate_P1.pdb (uploaded on Sep 14, 2021 11:40 AM)  
Inserted
Sep 14, 2021