› 4od7

X-ray diffraction
1.6Å resolution

Complex structure of Proteus mirablis DsbA (C30S) with a non-covalently bound peptide PWATCDS

Released:
DOI: 10.2210/pdb4od7/pdb
PDB entry 4od7 coloured by chain, front view.
PDB entry 4od7 coloured by chain, side view.
PDB entry 4od7 coloured by chain, top view.
Source organism: Proteus mirabilis HI4320
Primary publication:
Crystal structure of the dithiol oxidase DsbA enzyme from proteus mirabilis bound non-covalently to an active site peptide ligand.
Kurth F, Duprez W, Premkumar L, Schembri MA, Fairlie DP, Martin JL
J Biol Chem 289 19810-22 (2014)
PMID: 24831013

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-110078 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Thiol:disulfide interchange protein Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 190 amino acids
Theoretical weight: 21.01 KDa
Source organism: Proteus mirabilis HI4320
Expression system: Escherichia coli
UniProt:
  • Canonical: B4EZ68 (Residues: 21-207; Coverage: 100%)
Gene names: PMI2828, dsbA
Sequence domains: DSBA-like thioredoxin domain
Structure domains: Glutaredoxin
(ACE)PWATCDS(NH2) Peptide Chains: D, E, F
Molecule details ›
Chains: D, E, F
Length: 9 amino acids
Theoretical weight: 803 Da
Source organism: Proteus mirabilis HI4320
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand SCN 4 x SCN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P32
Unit cell:
a: 74.056Å b: 74.056Å c: 93.27Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.178 0.172 0.2
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

3 review citations

Targeting Bacterial Dsb Proteins for the Development of Anti-Virulence Agents.
Smith et al. (2016)
2 more

4 mentions without citation

Approaches to the Structure-Based Design of Antivirulence Drugs: Therapeutics for the Post-Antibiotic Era.
Neville et al. (2019)
3 more