PDBe 5dch

X-ray diffraction
1.45Å resolution

Crystal structure of Pseudomonas aeruginosa DsbA E82I in complex with MIPS-0000851 (3-[(2-METHYLBENZYL)SULFANYL]-4H-1,2,4-TRIAZOL-4-AMINE)

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thiol:disulfide interchange protein DsbA Chain: A
Molecule details ›
Chain: A
Length: 192 amino acids
Theoretical weight: 21.35 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0C2B2 (Residues: 22-211; Coverage: 100%)
Gene names: PA5489, dsbA
Sequence domains: DSBA-like thioredoxin domain
Structure domains: Glutaredoxin

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 35.47Å b: 63.1Å c: 41.87Å
α: 90° β: 98.31° γ: 90°
R-values:
R R work R free
0.137 0.136 0.163
Expression system: Escherichia coli BL21(DE3)