› 2hkr

X-ray diffraction
1.4Å resolution

Structures of the carbinolamine and schiff-base intermediates in the reductive half-reaction of aromatic amine dehydrogenase (AADH) with p-methoxyphenylethylamine

Released:
DOI: 10.2210/pdb2hkr/pdb
PDB entry 2hkr coloured by chain, front view.
PDB entry 2hkr coloured by chain, side view.
PDB entry 2hkr coloured by chain, top view.
Source organism: Alcaligenes faecalis
Entry authors: Roujeinikova A, Leys D

Function and Biology Details

Reaction catalysed: 
ArCH(2)NH(2) + H(2)O + 2 azurin = ArCHO + NH(3) + 2 reduced azurin
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160926 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Aralkylamine dehydrogenase light chain Chains: D, H
Molecule details ›
Chains: D, H
Length: 122 amino acids
Theoretical weight: 13.47 KDa
Source organism: Alcaligenes faecalis
UniProt:
  • Canonical: P84887 (Residues: 59-180; Coverage: 90%)
Gene name: aauA
Sequence domains: Methylamine dehydrogenase, L chain
Structure domains: Methylamine/Aralkylamine dehydrogenase light chain
Aralkylamine dehydrogenase heavy chain Chains: A, B
Molecule details ›
Chains: A, B
Length: 362 amino acids
Theoretical weight: 40.11 KDa
Source organism: Alcaligenes faecalis
Expression system: Escherichia coli
UniProt:
  • Canonical: P84888 (Residues: 29-389; Coverage: 99%)
Gene name: aauB
Sequence domains: Methylamine dehydrogenase heavy chain (MADH)
Structure domains: YVTN repeat-like/Quinoprotein amine dehydrogenase

Ligands and Environments

2 bound ligands:
Ligand ZHH 1 x ZHH
Ligand ZHZ 1 x ZHZ
1 modified residue:
Ligand TRQ 2 x TRQ

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P21
Unit cell:
a: 70.848Å b: 88.813Å c: 80.044Å
α: 90° β: 90.39° γ: 90°
R-values:
R R work R free
0.151 0.149 0.171
Expression system: Escherichia coli

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