Structure of IDP95436

Crystal structure of meta-AAC0038, an environmental aminoglycoside resistance enzyme, mutant H168A in complex with apramycin and CoA

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CSGID target
IDP95436 
PDB Id
7KES (NCBI MMDB) 
Authors
Stogios PJ, Skarina T, Michalska K, Zu X, Vim V, Savchenko A, Joachimiak A, Satchell KJ, Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Oct 12, 2020 
Release Date
 

Annotation

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Ligands

Ligand code Name Ligand type
GOL glycerol crystallization
COA Coenzyme A biological
AM2 biological
CL chloride crystallization

Structure information

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Unit cell parameters

Space Group
P 31 2 1  
Unit Cell

a=127.77Å, b=127.77Å, c=94.64Å
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
29.19-2.36Å (2.43-2.36Å)  
Rall(%)
19.2 
Rwork(%)
19.1 (29.6) 
Rfree(%)
22.8 (34.7) 
Num. observed reflections
38725 (2628) 
Num. Rfree reflections
1940 (137) 
Completeness(%)
99.9 (99.0) 

Model parameters

Num Atoms
3992  
Num Waters
167  
Num Hetatoms
366  
Model mean isotropic B factor
71.640Å2  
RMSD bond length
0.005Å  
RMSD bond angle
1.337°  
RMSD dihedral angle
19.72°
 
Filename uploaded
7kes.pdb (uploaded on Oct 21, 2020 9:38 AM)  
Inserted
Oct 12, 2020