Structure of IDP52003

The crystal structure of Papain-Like Protease of SARS CoV-2 in complex with PLP_Snyder496

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CSGID target
IDP52003 
PDB Id
7KOL (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

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Ligands

Ligand code Name Ligand type
Y96 unknown biological
ZN zinc biological
CL chloride crystallization
MES MES crystallization

Structure information

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Unit cell parameters

Space Group
I 41 2 2  
Unit Cell

a=114.18Å, b=114.18Å, c=220.53Å
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
45.57-2.58Å (2.65-2.59Å)  
Rall(%)
18.9 
Rwork(%)
18.8 (37.3) 
Rfree(%)
20.6 (38.2) 
Num. observed reflections
23158 (1610) 
Num. Rfree reflections
1157 (73) 
Completeness(%)
99.6 (95.2) 

Model parameters

Num Atoms
2462  
Num Waters
20  
Num Hetatoms
65  
Model mean isotropic B factor
99.780Å2  
RMSD bond length
0.010Å  
RMSD bond angle
1.742°  
Filename uploaded
D_1000252821_model-annotate_P1.pdb (uploaded on Nov 16, 2020 11:13 AM)  
Inserted
Nov 16, 2020