› 5m49

X-ray diffraction
1.51Å resolution

Alpha-amino epsilon-caprolactam racemase in complex with PLP and D/L alpha amino epsilon-caprolactam (internal aldimine)

Released:
DOI: 10.2210/pdb5m49/pdb
PDB entry 5m49 coloured by chain, front view.
PDB entry 5m49 coloured by chain, side view.
PDB entry 5m49 coloured by chain, top view.
Source organism: Rhizobium freirei PRF 81
Primary publication:
Snapshots of the Catalytic Cycle of the Industrial Enzyme alpha-Amino-epsilon-Caprolactam Racemase (ACLR) Observed Using X-ray Crystallography
Frese A, Sutton PW, Turkenburg JP, Grogan G
ACS Catalysis 7 1045-1048 (2017)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-126103 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aminotransferase class-III Chain: A
Molecule details ›
Chain: A
Length: 436 amino acids
Theoretical weight: 45.69 KDa
Source organism: Rhizobium freirei PRF 81
Expression system: Escherichia coli
UniProt:
  • Canonical: N6UXY4 (Residues: 1-436; Coverage: 100%)
Gene name: RHSP_08934
Sequence domains: Aminotransferase class-III
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand PLP 1 x PLP
Ligand 8F4 1 x 8F4
Ligand 7F4 1 x 7F4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: C2
Unit cell:
a: 87.696Å b: 77.679Å c: 57.602Å
α: 90° β: 112.68° γ: 90°
R-values:
R R work R free
0.163 0.161 0.195
Expression system: Escherichia coli

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