Structure of IDP52003

The crystal structure of Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with PLP_Snyder494

Edit deposit information
CSGID target
IDP52003 
PDB Id
7KOJ (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
Nov 09, 2020 
Release Date
 

Annotation

Ligands

Ligand code Name Ligand type
Y94 unknown biological
ZN biological
CL crystallization
MES MES crystallization
ACT crystallization
UNX Unknown atom crystallization

Structure information

Unit cell parameters

Space Group
I 41 2 2  
Unit Cell

a=113.35Å, b=113.35Å, c=220.11Å
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
45.41-2.02Å (2.08-2.03Å)  
Rall(%)
18.4 
Rwork(%)
18.3 (35.1) 
Rfree(%)
20.3 (35.8) 
Num. observed reflections
46811 (3284) 
Num. Rfree reflections
2293 (174) 
Completeness(%)
99.7 (96.6) 

Model parameters

Num Atoms
2513  
Num Waters
177  
Num Hetatoms
246  
Model mean isotropic B factor
67.660Å2  
RMSD bond length
0.009Å  
RMSD bond angle
1.651°  
Filename uploaded
D_1000252804_model-annotate_P1.pdb (uploaded on Nov 16, 2020 11:05 AM)  
Inserted
Nov 16, 2020