› 3fyu

X-ray diffraction
2.62Å resolution

Crystal structure of acetyl xylan esterase from Bacillus pumilus obtained in presence of D-xylose and sodium acetate

Released:
DOI: 10.2210/pdb3fyu/pdb
PDB entry 3fyu coloured by chain, front view.
PDB entry 3fyu coloured by chain, side view.
PDB entry 3fyu coloured by chain, top view.
Source organism: Bacillus pumilus
Primary publication:
Structural and functional studies of Bacillus pumilus acetyl xylan esterase
Krastanova I, Cassetta A, Mastihubova M, Biely P, Lamba D
To be published

Function and Biology Details

Reaction catalysed: 
An acetic ester + H(2)O = an alcohol + acetate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191764 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Acetyl xylan esterase domain-containing protein Chains: A, I
Molecule details ›
Chains: A, I
Length: 320 amino acids
Theoretical weight: 36.16 KDa
Source organism: Bacillus pumilus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9K5F2 (Residues: 1-320; Coverage: 100%)
Gene name: axe
Sequence domains: Acetyl xylan esterase (AXE1)
Structure domains: alpha/beta hydrolase
Acetyl xylan esterase domain-containing protein Chains: B, D, H
Molecule details ›
Chains: B, D, H
Length: 320 amino acids
Theoretical weight: 36.17 KDa
Source organism: Bacillus pumilus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9K5F2 (Residues: 1-320; Coverage: 100%)
Gene name: axe
Sequence domains: Acetyl xylan esterase (AXE1)
Structure domains: alpha/beta hydrolase
Acetyl xylan esterase domain-containing protein Chains: C, E, F, G, L, M, N
Molecule details ›
Chains: C, E, F, G, L, M, N
Length: 320 amino acids
Theoretical weight: 36.11 KDa
Source organism: Bacillus pumilus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9K5F2 (Residues: 1-320; Coverage: 100%)
Gene name: axe
Sequence domains: Acetyl xylan esterase (AXE1)
Structure domains: alpha/beta hydrolase

Ligands and Environments

4 bound ligands:
Ligand XYP 7 x XYP
Ligand EDO 13 x EDO
Ligand CL 18 x CL
Ligand ACY 5 x ACY
2 modified residues:
Ligand OAS 2 x OAS
Ligand TIS 3 x TIS

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P21
Unit cell:
a: 142.225Å b: 86.622Å c: 183.973Å
α: 90° β: 112.78° γ: 90°
R-values:
R R work R free
0.196 0.196 0.23
Expression system: Escherichia coli

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