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crystal structure of SZ529 complex with (R,R)-cyclopentanediol

X-ray diffraction
2.01Å resolution
PDB entry 5gkw coloured by chain, front view.
PDB entry 5gkw coloured by chain, side view.
PDB entry 5gkw coloured by chain, top view.
Source organism: Rhodococcus erythropolis
Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Limonene-1,2-epoxide hydrolase
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Multimeric state: monomeric
Accessible surface area: 7668.94 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-195601
Assembly 2
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Assembly Name: Limonene-1,2-epoxide hydrolase
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Multimeric state: monomeric
Accessible surface area: 6817.52 Å2
Buried surface area: 0.0 Å2
Dissociation area: 0 Å2
Dissociation energy (ΔGdiss): 0 kcal/mol
Dissociation entropy (TΔSdiss): 0 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-195601
Assembly 3
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Assembly Name: Limonene-1,2-epoxide hydrolase
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Multimeric state: homo dimer
Accessible surface area: 12391.22 Å2
Buried surface area: 2935.57 Å2
Dissociation area: 1,467.79 Å2
Dissociation energy (ΔGdiss): 8.13 kcal/mol
Dissociation entropy (TΔSdiss): 12.1 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-195602
Assembly 4
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Assembly Name: Limonene-1,2-epoxide hydrolase
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Multimeric state: homo dimer
Accessible surface area: 11621.02 Å2
Buried surface area: 2018.19 Å2
Dissociation area: 1,009.09 Å2
Dissociation energy (ΔGdiss): 4.57 kcal/mol
Dissociation entropy (TΔSdiss): 11.43 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-195602

Macromolecules

Limonene-1,2-epoxide hydrolase
Chains: A, B
Length: 155 amino acids
Theoretical weight: 17.32 KDa
Source organism: Rhodococcus erythropolis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9ZAG3 (Residues: 2-149; Coverage: 99%)
Gene name: limA
Pfam: Limonene-1,2-epoxide hydrolase catalytic domain
InterPro:
CATH: Nuclear Transport Factor 2; Chain: A,
Limonene-1,2-epoxide hydrolase in PDB entry 5gkw, assembly 1, front view.
Limonene-1,2-epoxide hydrolase in PDB entry 5gkw, assembly 1, side view.
Limonene-1,2-epoxide hydrolase in PDB entry 5gkw, assembly 1, top view.
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