› 2ndo

Solution NMR

Structure of EcDsbA-sulfonamide1 complex

Released:
DOI: 10.2210/pdb2ndo/pdb
PDB entry 2ndo coloured by chain, ensemble of 10 models, front view.
PDB entry 2ndo coloured by chain, ensemble of 10 models, side view.
PDB entry 2ndo coloured by chain, ensemble of 10 models, top view.
Source organism: Escherichia coli K-12
Primary publication:
Determination of ligand binding modes in weak protein-ligand complexes using sparse NMR data.
Mohanty B, Williams ML, Doak BC, Vazirani M, Ilyichova O, Wang G, Bermel W, Simpson JS, Chalmers DK, King GF, Mobli M, Scanlon MJ
J Biomol NMR 66 195-208 (2016)
PMID: 27778134

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142450 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thiol:disulfide interchange protein DsbA Chain: A
Molecule details ›
Chain: A
Length: 189 amino acids
Theoretical weight: 21.16 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P0AEG4 (Residues: 20-208; Coverage: 100%)
Gene names: JW3832, b3860, dsbA, dsf, ppfA
Sequence domains: DSBA-like thioredoxin domain
Structure domains: Glutaredoxin

Ligands and Environments

1 bound ligand:
Ligand SFQ 1 x SFQ
No modified residues

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 17%
Refinement method: simulated annealing
Expression system: Escherichia coli

Quick links

Citations

5 citation in other articles

Automatic structure-based NMR methyl resonance assignment in large proteins.
PritiĊĦanac et al. (2019)
4 more

1 mention without citation

Metalloproteins containing cytochrome, iron-sulfur, or copper redox centers.
Liu et al. (2014)