Structure of IDP95756

Crystal structure of dihydropteroate synthase H182G mutant (folP-SMZ_B27) from soil uncultured bacterium in complex with pteroic acid and pyrophosphate

Edit deposit information
CSGID target
IDP95756 
PDB Id
8D5I (NCBI MMDB
Authors
Stogios PJ, Skarina T, Kim Y, Venkatesan M, Di Leo R, Savchenko A, Joachimiak A, Satchell KJF, Center for Structural Genomics of Infectious Diseases (CSGID) 
Responsible person
Peter Stogios 
Responsible lab
University of Calgary 
Deposition Date
Jun 04, 2022 
Release Date
Jun 15, 2022 

Annotation

Ligands

Ligand code Name Ligand type
PT1 biological
POP biological

Structure information

Unit cell parameters

Space Group
P 21 21 2  
Unit Cell

a=87.17Å, b=145.61Å, c=36.80Å
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
42.41-1.82Å (1.86-1.82Å)  
Rall(%)
16.7 
Rwork(%)
16.5 (32.7) 
Rfree(%)
21.1 (34.0) 
Num. observed reflections
44614 (2315) 
Num. Rfree reflections
2087 (114) 
Completeness(%)
97.7 (79.0) 

Model parameters

Num Atoms
4102  
Num Waters
580  
Num Hetatoms
654  
Model mean isotropic B factor
33.990Å2  
RMSD bond length
0.007Å  
RMSD bond angle
0.942°  
RMSD dihedral angle
16.469°
 
Filename uploaded
8d5i.pdb (uploaded on Jun 15, 2022 8:58 AM)  
Inserted
Jun 05, 2022