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Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus recombinant apo-enzyme

X-ray diffraction
2.06Å resolution
PDB entry 2dd4 coloured by chain, front view.
PDB entry 2dd4 coloured by chain, side view.
PDB entry 2dd4 coloured by chain, top view.
Source organism: Thiobacillus thioparus
Assembly composition:
hetero dodecamer (preferred)
Entry contents: 3 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Thiocyanate hydrolase
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Multimeric state: hetero dodecamer
Accessible surface area: 61209.16 Å2
Buried surface area: 78052.84 Å2
Dissociation area: 7,213.37 Å2
Dissociation energy (ΔGdiss): 91.03 kcal/mol
Dissociation entropy (TΔSdiss): 17.24 kcal/mol
Symmetry number: 4
PDBe Complex ID: PDB-CPX-130299

Macromolecules

Thiocyanate hydrolase subunit alpha
Chains: A, D, G, J
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
Pfam: Nitrile hydratase beta subunit, C-terminal
InterPro:
CATH: SH3 type barrels.
Thiocyanate hydrolase subunit alpha in PDB entry 2dd4, assembly 1, front view.
Thiocyanate hydrolase subunit alpha in PDB entry 2dd4, assembly 1, side view.
Thiocyanate hydrolase subunit alpha in PDB entry 2dd4, assembly 1, top view.
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Thiocyanate hydrolase subunit beta
Chains: B, E, H, K
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
Pfam: Nitrile hydratase beta subunit, N-terminal
InterPro:
CATH: Nitrile hydratase, beta subunit
Thiocyanate hydrolase subunit beta in PDB entry 2dd4, assembly 1, front view.
Thiocyanate hydrolase subunit beta in PDB entry 2dd4, assembly 1, side view.
Thiocyanate hydrolase subunit beta in PDB entry 2dd4, assembly 1, top view.
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Thiocyanate hydrolase subunit gamma
Chains: C, F, I, L
Length: 243 amino acids
Theoretical weight: 27.57 KDa
Source organism: Thiobacillus thioparus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O66188 (Residues: 1-243; Coverage: 100%)
Gene name: scnC
Pfam: Nitrile hydratase, alpha chain
InterPro:
CATH: Nitrile hydratase alpha /Thiocyanate hydrolase gamma
Thiocyanate hydrolase subunit gamma in PDB entry 2dd4, assembly 1, front view.
Thiocyanate hydrolase subunit gamma in PDB entry 2dd4, assembly 1, side view.
Thiocyanate hydrolase subunit gamma in PDB entry 2dd4, assembly 1, top view.
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