› 1s2y

X-ray diffraction
2.12Å resolution

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

Released:
DOI: 10.2210/pdb1s2y/pdb
PDB entry 1s2y coloured by chain, front view.
PDB entry 1s2y coloured by chain, side view.
PDB entry 1s2y 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 RSA 2 x RSA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: C222
Unit cell:
a: 130.898Å b: 224.218Å c: 86.039Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.204 0.235
Expression system: Komagataella pastoris

Quick links

Citations

20 review citations

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

3 mentions without citation

Is It Reliable to Take the Molecular Docking Top Scoring Position as the Best Solution without Considering Available Structural Data?
Ramírez et al. (2018)
2 more