› 3t52

X-ray diffraction
2Å resolution

L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity

Released:
DOI: 10.2210/pdb3t52/pdb
PDB entry 3t52 coloured by chain, front view.
PDB entry 3t52 coloured by chain, side view.
PDB entry 3t52 coloured by chain, top view.
Source organism: Pseudomonas fluorescens
Entry authors: Kazlauskas RJ, Yin T, Purpero VM

Function and Biology Details

Reaction catalysed: 
A phenyl acetate + H(2)O = a phenol + acetate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149815 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Arylesterase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 271 amino acids
Theoretical weight: 29.99 KDa
Source organism: Pseudomonas fluorescens
Expression system: Escherichia coli
UniProt:
  • Canonical: P22862 (Residues: 2-272; Coverage: 100%)
Gene name: estF
Sequence domains: alpha/beta hydrolase fold
Structure domains: alpha/beta hydrolase

Ligands and Environments

5 bound ligands:
Ligand GOL 32 x GOL
Ligand SO4 12 x SO4
Ligand CL 7 x CL
Ligand PEO 19 x PEO
Ligand ACT 28 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: P32
Unit cell:
a: 146.02Å b: 146.02Å c: 128.95Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.185 0.184 0.211
Expression system: Escherichia coli

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