X-ray diffraction
2.6Å resolution

Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form B)


Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Chaperone protein DnaK Chains: A, B, E, F
Molecule details ›
Chains: A, B, E, F
Length: 219 amino acids
Theoretical weight: 23.82 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli BL21(DE3)
  • Canonical: P0A6Y8 (Residues: 389-607; Coverage: 34%)
Gene names: JW0013, b0014, dnaK, groP, grpF, seg
Structure domains:
Pyrrhocoricin Chains: C, D, G, H
Molecule details ›
Chains: C, D, G, H
Length: 20 amino acids
Theoretical weight: 2.47 KDa
Source organism: Pyrrhocoris apterus
Expression system: Not provided
  • Canonical: P37362 (Residues: 1-20; Coverage: 100%)

Ligands and Environments

1 bound ligand:

1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 77.712Å b: 91.653Å c: 154.797Å
α: 90° β: 90° γ: 90°
R R work R free
0.257 0.254 0.319
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided