› 5m4b

X-ray diffraction
1.5Å resolution

Alpha-amino epsilon-caprolactam racemase D210A mutant in complex with PLP and geminal diamine intermediate

Released:
DOI: 10.2210/pdb5m4b/pdb
PDB entry 5m4b coloured by chain, front view.
PDB entry 5m4b coloured by chain, side view.
PDB entry 5m4b coloured by chain, top view.
Source organism: Rhizobacter
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

Reaction catalysed: 
(S)-2-aminohexano-6-lactam = (R)-2-aminohexano-6-lactam
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: 440 amino acids
Theoretical weight: 46 KDa
Source organism: Rhizobacter
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

2 bound ligands:
Ligand 7F7 1 x 7F7
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 86.21Å b: 79.111Å c: 58.971Å
α: 90° β: 112.82° γ: 90°
R-values:
R R work R free
0.141 0.14 0.168
Expression system: Escherichia coli

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