4fm4

X-ray diffraction
2.38Å resolution

Wild Type Fe-type Nitrile Hydratase from Comamonas testosteroni Ni1

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
NHase_alpha domain-containing protein Chains: A, C, E, G, I, K, M, O
Molecule details ›
Chains: A, C, E, G, I, K, M, O
Length: 209 amino acids
Theoretical weight: 23.31 KDa
Source organism: Comamonas testosteroni
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: J9PBS0 (Residues: 1-209; Coverage: 100%)
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: 22.55 KDa
Source organism: Comamonas testosteroni
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: J9PBS1 (Residues: 1-206; Coverage: 100%)
Sequence domains: Nitrile hydratase beta subunit
Structure domains:

Ligands and Environments

2 bound ligands:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P31
Unit cell:
a: 111.401Å b: 111.401Å c: 475.31Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.19 0.188 0.227
Expression system: Escherichia coli BL21(DE3)