› 3a17

X-ray diffraction
2.5Å resolution

Crystal Structure of Aldoxime Dehydratase (OxdRE) in Complex with Butyraldoxime (Co-crystal)

Released:
DOI: 10.2210/pdb3a17/pdb
PDB entry 3a17 coloured by chain, front view.
PDB entry 3a17 coloured by chain, side view.
PDB entry 3a17 coloured by chain, top view.
Source organism: Rhodococcus erythropolis
Primary publication:
X-ray crystal structure of michaelis complex of aldoxime dehydratase.
Sawai H, Sugimoto H, Kato Y, Asano Y, Shiro Y, Aono S
J Biol Chem 284 32089-96 (2009)
PMID: 19740758

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-181162 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aliphatic aldoxime dehydratase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 373 amino acids
Theoretical weight: 42.08 KDa
Source organism: Rhodococcus erythropolis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q76K71 (Residues: 1-353; Coverage: 100%)
Gene name: oxd
Sequence domains: Haem-containing dehydratase

Ligands and Environments

2 bound ligands:
Ligand HEM 8 x HEM
Ligand BXO 8 x BXO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL44B2
Spacegroup: P1
Unit cell:
a: 80.052Å b: 103.931Å c: 114.189Å
α: 76.5° β: 89.46° γ: 87.55°
R-values:
R R work R free
0.213 0.211 0.243
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Substrate, product, and cofactor: The extraordinarily flexible relationship between the CDE superfamily and heme.
Celis et al. (2015)
2 more

4 mentions without citation

X-ray crystal structure of michaelis complex of aldoxime dehydratase.
Sawai et al. (2009)
3 more