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Crystal Structure of Co-type Nitrile Hydratase alpha-E168Q from Pseudomonas putida.

X-ray diffraction
2.5Å resolution
PDB entry 3qz5 coloured by chain, front view.
PDB entry 3qz5 coloured by chain, side view.
PDB entry 3qz5 coloured by chain, top view.
Source organism: Pseudomonas putida
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Co-type nitrile hydratase beta subunit and Co-type nitrile hydratase alpha subunit
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Multimeric state: hetero dimer
Accessible surface area: 17321.48 Å2
Buried surface area: 8008.43 Å2
Dissociation area: 3,890.17 Å2
Dissociation energy (ΔGdiss): 49.28 kcal/mol
Dissociation entropy (TΔSdiss): 13.44 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-163957
Assembly 2
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Assembly Name: Co-type nitrile hydratase beta subunit and Co-type nitrile hydratase alpha subunit
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Multimeric state: hetero dimer
Accessible surface area: 17088.34 Å2
Buried surface area: 8147.35 Å2
Dissociation area: 3,934.5 Å2
Dissociation energy (ΔGdiss): 51.25 kcal/mol
Dissociation entropy (TΔSdiss): 13.45 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-163957
Assembly 3
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Assembly Name: Co-type nitrile hydratase beta subunit and Co-type nitrile hydratase alpha subunit
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Multimeric state: hetero dimer
Accessible surface area: 17086.38 Å2
Buried surface area: 7966.86 Å2
Dissociation area: 3,868.29 Å2
Dissociation energy (ΔGdiss): 50.27 kcal/mol
Dissociation entropy (TΔSdiss): 13.42 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-163957
Assembly 4
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Assembly Name: Co-type nitrile hydratase beta subunit and Co-type nitrile hydratase alpha subunit
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Multimeric state: hetero dimer
Accessible surface area: 16999.81 Å2
Buried surface area: 8028.83 Å2
Dissociation area: 3,906.24 Å2
Dissociation energy (ΔGdiss): 50.44 kcal/mol
Dissociation entropy (TΔSdiss): 13.42 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-163957

Macromolecules

Co-type Nitrile Hydratase alpha subunit
Chains: A, C, E, G
Length: 211 amino acids
Theoretical weight: 23.14 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21(DE3)
InterPro:
CATH: Nitrile hydratase alpha /Thiocyanate hydrolase gamma
Co-type Nitrile Hydratase alpha subunit in PDB entry 3qz5, assembly 1, front view.
Co-type Nitrile Hydratase alpha subunit in PDB entry 3qz5, assembly 1, side view.
Co-type Nitrile Hydratase alpha subunit in PDB entry 3qz5, assembly 1, top view.
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Co-type Nitrile Hydratase beta subunit
Chains: B, D, F, H
Length: 219 amino acids
Theoretical weight: 24.05 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21(DE3)
InterPro:
CATH:
Co-type Nitrile Hydratase beta subunit in PDB entry 3qz5, assembly 1, front view.
Co-type Nitrile Hydratase beta subunit in PDB entry 3qz5, assembly 1, side view.
Co-type Nitrile Hydratase beta subunit in PDB entry 3qz5, assembly 1, top view.
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