› 3x28

X-ray diffraction
1.65Å resolution

Crystal structure of Nitrile Hydratase mutant bR56K

Released:
DOI: 10.2210/pdb3x28/pdb
PDB entry 3x28 coloured by chain, front view.
PDB entry 3x28 coloured by chain, side view.
PDB entry 3x28 coloured by chain, top view.
Source organism: Rhodococcus erythropolis
Entry authors: Yamanaka Y, Hashimoto K, Noguchi K, Yohda M, Odaka M

Function and Biology Details

Reaction catalysed: 
An aliphatic amide = a nitrile + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146592 (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: 23.07 KDa
Source organism: Rhodococcus erythropolis
Expression system: Escherichia coli
UniProt:
  • Canonical: P13448 (Residues: 1-207; Coverage: 100%)
Gene name: nthA
Sequence domains: Nitrile hydratase, alpha chain
Structure domains: Nitrile hydratase alpha /Thiocyanate hydrolase gamma
Nitrile hydratase subunit beta Chain: B
Molecule details ›
Chain: B
Length: 212 amino acids
Theoretical weight: 23.49 KDa
Source organism: Rhodococcus erythropolis
Expression system: Escherichia coli
UniProt:
  • Canonical: P13449 (Residues: 1-212; Coverage: 100%)
Gene names: nha2, nthB
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand FE 1 x FE
Ligand MG 1 x MG
Ligand CL 1 x CL
2 modified residues:
Ligand CSD 1 x CSD
Ligand CSO 1 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-5A
Spacegroup: C2
Unit cell:
a: 114.786Å b: 60.579Å c: 81.996Å
α: 90° β: 124.97° γ: 90°
R-values:
R R work R free
0.182 0.18 0.218
Expression system: Escherichia coli

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