Structure of IDP52003

Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder608 inhibitor

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CSGID target
IDP52003 
PDB Id
7SGW (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

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Ligands

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

Structure information

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Unit cell parameters

Space Group
P 32 2 1  
Unit Cell

a=82.27Å, b=82.27Å, c=135.00Å
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
49.05-1.95Å (2.00-1.95Å)  
Rall(%)
17.8 
Rwork(%)
17.6 (30.3) 
Rfree(%)
20.7 (32.9) 
Num. observed reflections
39119 (2754) 
Num. Rfree reflections
1995 (131) 
Completeness(%)
99.7 (96.1) 

Model parameters

Num Atoms
2539  
Num Waters
195  
Num Hetatoms
216  
Model mean isotropic B factor
46.740Å2  
RMSD bond length
0.009Å  
RMSD bond angle
1.545°  
Filename uploaded
D_1000260231_model-annotate_P1.pdb (uploaded on Oct 18, 2021 3:41 PM)  
Inserted
Oct 18, 2021