PDBe 3a8l

X-ray diffraction
1.63Å resolution

Crystal structure of photo-activation state of Nitrile Hydratase mutant S113A

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nitrile hydratase subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 207 amino acids
Theoretical weight: 23.05 KDa
Source organism: Rhodococcus erythropolis
Expression system: Escherichia coli
UniProt:
  • Best match: P13448 (Residues: 1-207)
Gene name: nthA
Nitrile hydratase subunit beta Chain: B
Molecule details ›
Chain: B
Length: 212 amino acids
Theoretical weight: 23.51 KDa
Source organism: Rhodococcus erythropolis
Expression system: Escherichia coli
UniProt:
  • Best match: P13449 (Residues: 1-212)
Gene names: nha2, nthB

Ligands and Environments

1 bound ligand:

2 modified residues:

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NW12A
Spacegroup: C2
Unit cell:
a: 114.324Å b: 60.104Å c: 81.885Å
α: 90° β: 124.96° γ: 90°
R-values:
R R work R free
0.167 0.165 0.191
Expression system: Escherichia coli