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Anhydride reaction intermediate trapped in Protocatechuate 3,4-dioxygenase (pseudomonas putida) at pH 8.5

X-ray diffraction
1.58Å resolution
PDB entry 4whr coloured by chain, front view.
PDB entry 4whr coloured by chain, side view.
PDB entry 4whr coloured by chain, top view.
Source organism: Pseudomonas putida
Assembly composition:
hetero 24-mer (preferred)
Entry contents: 3 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Protocatechuate 3,4-dioxygenase
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Multimeric state: hetero 24-mer
Accessible surface area: 166441.78 Å2
Buried surface area: 148604.24 Å2
Dissociation area: 18,315.52 Å2
Dissociation energy (ΔGdiss): 139.83 kcal/mol
Dissociation entropy (TΔSdiss): 84.66 kcal/mol
Symmetry number: 12
PDBe Complex ID: PDB-CPX-132483

Macromolecules

Protocatechuate 3,4-dioxygenase alpha chain
Chains: A, C, E
Length: 200 amino acids
Theoretical weight: 22.28 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00436 (Residues: 2-201; Coverage: 100%)
Gene name: pcaG
Pfam: Dioxygenase
InterPro:
CATH: Aromatic compound dioxygenase
Protocatechuate 3,4-dioxygenase alpha chain in PDB entry 4whr, assembly 1, front view.
Protocatechuate 3,4-dioxygenase alpha chain in PDB entry 4whr, assembly 1, side view.
Protocatechuate 3,4-dioxygenase alpha chain in PDB entry 4whr, assembly 1, top view.
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Protocatechuate 3,4-dioxygenase beta chain
Chains: B, D
Length: 238 amino acids
Theoretical weight: 26.71 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00437 (Residues: 2-239; Coverage: 100%)
Gene name: pcaH
Pfam:
InterPro:
CATH: Aromatic compound dioxygenase
Protocatechuate 3,4-dioxygenase beta chain in PDB entry 4whr, assembly 1, front view.
Protocatechuate 3,4-dioxygenase beta chain in PDB entry 4whr, assembly 1, side view.
Protocatechuate 3,4-dioxygenase beta chain in PDB entry 4whr, assembly 1, top view.
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Protocatechuate 3,4-dioxygenase beta chain
Chain: F
Length: 238 amino acids
Theoretical weight: 26.73 KDa
Source organism: Pseudomonas putida
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00437 (Residues: 2-239; Coverage: 100%)
Gene name: pcaH
Pfam:
InterPro:
CATH: Aromatic compound dioxygenase
Protocatechuate 3,4-dioxygenase beta chain in PDB entry 4whr, assembly 1, front view.
Protocatechuate 3,4-dioxygenase beta chain in PDB entry 4whr, assembly 1, side view.
Protocatechuate 3,4-dioxygenase beta chain in PDB entry 4whr, assembly 1, top view.
Molecule details ›

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