2dxb

X-ray diffraction
2.25Å resolution

Recombinant thiocyanate hydrolase comprising partially-modified cobalt centers

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero dodecamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130299 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Thiocyanate hydrolase subunit alpha Chains: A, D, G, J, M, P, S, V
Molecule details ›
Chains: A, D, G, J, M, P, S, V
Length: 126 amino acids
Theoretical weight: 14.51 KDa
Source organism: Thiobacillus thioparus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O66187 (Residues: 1-126; Coverage: 100%)
Gene name: scnA
Sequence domains: Nitrile hydratase beta subunit, C-terminal
Structure domains: SH3 type barrels.
Thiocyanate hydrolase subunit beta Chains: B, E, H, K, N, Q, T, W
Molecule details ›
Chains: B, E, H, K, N, Q, T, W
Length: 157 amino acids
Theoretical weight: 18.07 KDa
Source organism: Thiobacillus thioparus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O66186 (Residues: 1-157; Coverage: 100%)
Gene name: scnB
Sequence domains: Nitrile hydratase beta subunit, N-terminal
Structure domains: Nitrile hydratase, beta subunit
Thiocyanate hydrolase subunit gamma Chains: C, F, I, L, O, R, U, X
Molecule details ›
Chains: C, F, I, L, O, R, U, X
Length: 243 amino acids
Theoretical weight: 27.62 KDa
Source organism: Thiobacillus thioparus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O66188 (Residues: 1-243; Coverage: 100%)
Gene name: scnC
Sequence domains: Nitrile hydratase, alpha chain
Structure domains: Nitrile hydratase alpha /Thiocyanate hydrolase gamma

Ligands and Environments

2 bound ligands:
2 modified residues:

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL45XU
Spacegroup: P212121
Unit cell:
a: 114.874Å b: 245.141Å c: 244.653Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.171 0.198
Expression system: Escherichia coli BL21(DE3)