Structure of IDP95938

Crystal structure of the 5-enolpyruvate-shikimate-3-phosphate synthase (EPSPS) domain of Aro1 from Candida albicans in complex with shikimate-3-phosphate

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CSGID target
IDP95938 
PDB Id
7TBU (NCBI MMDB) 
Authors
Stogios, P.J., Evdokimova, E., Michalska, K., Di Leo, R., Savchenko, A., Joachimiak, A., Satchell, K.J.F., Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Dec 22, 2021 
Release Date
Mar 16, 2022 

Annotation

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Ligands

Ligand code Name Ligand type
TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL crystallization
S3P shikimate-3-phosphate biological

Structure information

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Unit cell parameters

Space Group
P 1 21 1  
Unit Cell

a=44.99Å, b=159.75Å, c=55.87Å
α=90.00, β=92.28, γ=90.00 
Solvent content
 
Matthews coefficient
 

Refinement

Data for the highest resolution shell is in parentheses.
Resolution range
29.66-1.85Å (1.90-1.85Å)  
Rall(%)
18.2 
Rwork(%)
18.0 (27.6) 
Rfree(%)
22.9 (31.6) 
Num. observed reflections
66662 (4098) 
Num. Rfree reflections
1999 (116) 
Completeness(%)
96.8 (89.0) 

Model parameters

Num Atoms
6609  
Num Waters
786  
Num Hetatoms
874  
Model mean isotropic B factor
38.690Å2  
RMSD bond length
0.007Å  
RMSD bond angle
0.975°  
RMSD dihedral angle
20.42°
 
Filename uploaded
7tbu.pdb (uploaded on Mar 16, 2022 4:39 AM)  
Inserted
Mar 16, 2022