Structure of IDP52003

Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder630 inhibitor

Edit deposit information
CSGID target
IDP52003 
PDB Id
7SGV (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
Oct 07, 2021 
Release Date
 

Annotation

Ligands

Ligand code Name Ligand type
L30 unknown biological
ZN biological
CL crystallization

Structure information

Unit cell parameters

Space Group
P 32 2 1  
Unit Cell

a=82.98Å, b=82.98Å, c=134.02Å
α=90.00, β=90.00, γ=120.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
44.71-2.00Å (2.06-2.00Å)  
Rall(%)
18.2 
Rwork(%)
18.1 (31.6) 
Rfree(%)
20.7 (29.4) 
Num. observed reflections
36203 (2331) 
Num. Rfree reflections
1810 (111) 
Completeness(%)
99.0 (87.0) 

Model parameters

Num Atoms
2491  
Num Waters
127  
Num Hetatoms
151  
Model mean isotropic B factor
58.970Å2  
RMSD bond length
0.009Å  
RMSD bond angle
1.486°  
Filename uploaded
PLP_C111S_Sn630.pdb (uploaded on Oct 18, 2021 3:37 PM)  
Inserted
Oct 18, 2021