› 1s2q

X-ray diffraction
2.07Å resolution

Crystal structure of MAOB in complex with N-propargyl-1(R)-aminoindan (Rasagiline)

Released:
DOI: 10.2210/pdb1s2q/pdb
PDB entry 1s2q coloured by chain, front view.
PDB entry 1s2q coloured by chain, side view.
PDB entry 1s2q coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of monoamine oxidase B in complex with four inhibitors of the N-propargylaminoindan class.
Binda C, Hubálek F, Li M, Herzig Y, Sterling J, Edmondson DE, Mattevi A
J Med Chem 47 1767-74 (2004)
PMID: 15027868

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 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
Structure domains:

Ligands and Environments


Cofactor: Ligand FAD 2 x FAD
1 bound ligand:
Ligand RAS 2 x RAS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: C222
Unit cell:
a: 132.924Å b: 224.33Å c: 86.689Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.207 0.236
Expression system: Komagataella pastoris

Quick links

Citations

20 review citations

The therapeutic potential of monoamine oxidase inhibitors.
Youdim et al. (2006)
19 more

10 mentions without citation

Computer Aided Drug Design Methodologies with Natural Products in the Drug Research Against Alzheimer's Disease.
de Sousa et al. (2022)
9 more