4zgj

X-ray diffraction
2Å resolution

Double Mutant H80A/H81A of Fe-Type Nitrile Hydratase from Comamonas testosteroni Ni1

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
PDBe Complex ID:
PDB-CPX-125401 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nitrile hydratase alpha /Thiocyanate hydrolase gamma domain-containing protein Chains: A, C, E, G, I, K, M, O
Molecule details ›
Chains: A, C, E, G, I, K, M, O
Length: 206 amino acids
Theoretical weight: 22.79 KDa
Source organism: Comamonas testosteroni
Expression system: Escherichia coli
UniProt:
  • Canonical: J9PBS0 (Residues: 4-209; Coverage: 99%)
Sequence domains: Nitrile hydratase, alpha chain
Structure domains: Nitrile hydratase alpha /Thiocyanate hydrolase gamma
Nitrile hydratase subunit beta Chains: B, D, F, H, J, L, N, P
Molecule details ›
Chains: B, D, F, H, J, L, N, P
Length: 206 amino acids
Theoretical weight: 22.58 KDa
Source organism: Comamonas testosteroni
Expression system: Escherichia coli
UniProt:
  • Canonical: J9PBS1 (Residues: 1-206; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P31
Unit cell:
a: 112.049Å b: 112.049Å c: 476.037Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.221 0.22 0.253
Expression system: Escherichia coli