Structure of IDP52005

X-ray Structure of SARS-CoV-2 main protease bound to Boceprevir at 1.45 A

Edit deposit information
CSGID target
IDP52005 
PDB Id
6WNP (NCBI MMDB
Authors
Brandon Anson Andrew Mesecar Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Brandon Anson 
Responsible lab
Purdue University 
Deposition Date
Apr 23, 2020 
Release Date
May 06, 2020 

Annotation

Ligands

Ligand code Name Ligand type
U5G Boceprevir biological

Structure information

Unit cell parameters

Space Group
C 1 2 1  
Unit Cell

a=97.55Å, b=81.09Å, c=54.67Å
α=90.00, β=116.98, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
25.81-1.44Å (0.00-0.00Å)  
Rall(%)
18.1 
Rwork(%)
18.1 (0.0) 
Rfree(%)
19.6 (0.0) 
Num. observed reflections
69378 (0) 
Num. Rfree reflections
2053 (0) 
Completeness(%)
99.0 (0.0) 

Model parameters

Num Atoms
4698  
Num Waters
324  
Num Hetatoms
407  
Model mean isotropic B factor
28.050Å2  
RMSD bond length
0.000Å  
RMSD bond angle
0.000°  
Filename uploaded
6wnp.pdb (uploaded on Oct 02, 2020 3:49 PM)  
Inserted
Oct 02, 2020