› 2cfg

X-ray diffraction
1.55Å resolution

AGAO in complex with wc4d3 (Ru-wire inhibitor, 4-carbon linker, delta enantiomer, data set 3)

Released:
DOI: 10.2210/pdb2cfg/pdb
PDB entry 2cfg coloured by chain, front view.
PDB entry 2cfg coloured by chain, side view.
PDB entry 2cfg coloured by chain, top view.
Source organism: Arthrobacter globiformis
Primary publication:
Enantiomer-specific binding of ruthenium(II) molecular wires by the amine oxidase of Arthrobacter globiformis.
Langley DB, Brown DE, Cheruzel LE, Contakes SM, Duff AP, Hilmer KM, Dooley DM, Gray HB, Guss JM, Freeman HC
J Am Chem Soc 130 8069-78 (2008)
PMID: 18507382

Function and Biology Details

Reaction catalysed: 
RCH(2)NH(2) + H(2)O + O(2) = RCHO + NH(3) + H(2)O(2)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155528 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phenylethylamine oxidase Chains: A, B
Molecule details ›
Chains: A, B
Length: 646 amino acids
Theoretical weight: 71.76 KDa
Source organism: Arthrobacter globiformis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P46881 (Residues: 3-638; Coverage: 100%)
Sequence domains: Copper amine oxidase, enzyme domain
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand CU 2 x CU
Ligand NA 2 x NA
Ligand R4A 2 x R4A
Ligand GOL 11 x GOL
Ligand SO4 2 x SO4
1 modified residue:
Ligand TPQ 2 x TPQ

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: C2
Unit cell:
a: 192.369Å b: 62.948Å c: 158.131Å
α: 90° β: 117.46° γ: 90°
R-values:
R R work R free
0.204 0.203 0.224
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Targeting proteins with metal complexes.
Meggers E. (2009)
2 more

2 mentions without citation

Copper active sites in biology.
Solomon et al. (2014)
1 more