› 4ehu

X-ray diffraction
1.6Å resolution

Activator of the 2-Hydroxyisocaproyl-CoA Dehydratase from Clostridium difficile with bound ADPNP

Released:
DOI: 10.2210/pdb4ehu/pdb
PDB entry 4ehu coloured by chain, front view.
PDB entry 4ehu coloured by chain, side view.
PDB entry 4ehu coloured by chain, top view.
Source organism: Clostridioides difficile
Primary publication:
On the ATP-dependent activation of the radical enzyme (R)-2-hydroxyisocaproyl-CoA dehydratase.
Knauer SH, Buckel W, Dobbek H
Biochemistry 51 6609-22 (2012)
PMID: 22827463

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-178356 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-hydroxyisocaproyl-CoA dehydratase activator Chains: A, B
Molecule details ›
Chains: A, B
Length: 276 amino acids
Theoretical weight: 29.66 KDa
Source organism: Clostridioides difficile
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q5U925 (Residues: 1-266; Coverage: 100%)
Gene names: BN1095_530010, BN1096_180047, BN1097_160049, CD630DERM_03960, ERS445050_03311, PCZ31_0395, fldI_1, hadI, lcdC
Sequence domains: BadF/BadG/BcrA/BcrD ATPase family
Structure domains: Nucleotidyltransferase; domain 5

Ligands and Environments

5 bound ligands:
Ligand SF4 1 x SF4
Ligand ANP 2 x ANP
Ligand MG 2 x MG
Ligand ACT 3 x ACT
Ligand NA 3 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: C2
Unit cell:
a: 66.105Å b: 158.259Å c: 62.988Å
α: 90° β: 111.97° γ: 90°
R-values:
R R work R free
0.173 0.171 0.197
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Electron Transfer in Nitrogenase.
Rutledge et al. (2020)
4 more

1 mention without citation

ATP-dependent substrate reduction at an [Fe8S9] double-cubane cluster.
Jeoung et al. (2018)