› 7b0z

X-ray diffraction
2.1Å resolution

Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one

Released:
DOI: 10.2210/pdb7b0z/pdb
PDB entry 7b0z coloured by chain, front view.
PDB entry 7b0z coloured by chain, side view.
PDB entry 7b0z coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B.
Iacovino LG, Pinzi L, Facchetti G, Bortolini B, Christodoulou MS, Binda C, Rastelli G, Rimoldi I, Passarella D, Di Paolo ML, Dalla Via L
ACS Med Chem Lett 12 1151-1158 (2021)
PMID: 34262643

Function and Biology Details

Reactions catalysed: 
RCH(2)NH(2) + H(2)O + O(2) = RCHO + NH(3) + H(2)O(2)
RCH(2)NHR' + H(2)O + O(2) = RCHO + R'NH(2) + H(2)O(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150973 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Amine oxidase [flavin-containing] B Chains: A, B
Molecule details ›
Chains: A, B
Length: 520 amino acids
Theoretical weight: 58.84 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P27338 (Residues: 1-520; Coverage: 100%)
Gene name: MAOB
Sequence domains: Flavin containing amine oxidoreductase

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD
3 bound ligands:
Ligand SK5 2 x SK5
Ligand C15 2 x C15
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: C222
Unit cell:
a: 131.383Å b: 221.961Å c: 86.109Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.161 0.188
Expression system: Komagataella pastoris

Quick links

Citations

1 review citation

Chalcones as Potential Ligands for the Treatment of Parkinson's Disease.
Królicka et al. (2022)
4 other articles