Structure of IDP97431

Crystal structure of Yck2 from Candida albicans in complex with kinase inhibitor GW461484A

Edit deposit information
CSGID target
IDP97431 
PDB Id
6U6A (NCBI MMDB
Authors
'P.J.Stogios,E.Evdokimova,R.Di Leo,C.Chang,A.Savchenko,A.Joachimiak,K.J.F.Satchell,Center For Structural Genomics Of Infectious Diseases (Csgid)' 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Aug 29, 2019 
Release Date
Oct 30, 2019 

Annotation

Ligands

Ligand code Name Ligand type
SO4 sulfate molecule crystallization
Q0J GW461484A biological

Structure information

Unit cell parameters

Space Group
H 3  
Unit Cell

a=91.56Å, b=91.56Å, c=119.62Å
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
37.63-2.45Å (2.64-2.45Å)  
Rall(%)
16.5 
Rwork(%)
16.3 (22.7) 
Rfree(%)
21.2 (29.8) 
Num. observed reflections
13268 (1719) 
Num. Rfree reflections
674 (84) 
Completeness(%)
91.6 (65.0) 

Model parameters

Num Atoms
2469  
Num Waters
116  
Num Hetatoms
152  
Model mean isotropic B factor
49.130Å2  
RMSD bond length
0.007Å  
RMSD bond angle
1.039°  
RMSD dihedral angle
23.061°
 
Filename uploaded
6u6a.pdb (uploaded on Dec 12, 2019 3:14 PM)  
Inserted
Dec 12, 2019