› 7zw3

X-ray diffraction
2Å resolution

Crystal Structure of human MAO B in complex with (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide (inhibitor 19)

Released:
DOI: 10.2210/pdb7zw3/pdb
PDB entry 7zw3 coloured by chain, front view.
PDB entry 7zw3 coloured by chain, side view.
PDB entry 7zw3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Knez D, Diez-Iriepa D, Chioua M, Gottinger A, Denic M, Chantegreil F, Nachon F, Brazzolotto X, Skrzypczak-Wiercioch A, Meden A, Pišlar A, Kos J, Žakelj S, Stojan J, Sałat K, Serrano J, Fernández AP, Sánchez-García A, Martínez-Murillo R, Binda C, López-Muñoz F, Gobec S, Marco-Contelles J
OpenAccess logo Acta Pharm Sin B 13 2152-2175 (2023)
PMID: 37250172

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: AAA, BBB
Molecule details ›
Chains: AAA, BBB
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
2 bound ligands:
Ligand C15 2 x C15
Ligand AI0 2 x AI0
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-1
Spacegroup: C222
Unit cell:
a: 131.644Å b: 222.399Å c: 86.221Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.166 0.204
Expression system: Komagataella pastoris

Quick links

Citations

1 review citation

NMDA Receptor Antagonists: Emerging Insights into Molecular Mechanisms and Clinical Applications in Neurological Disorders.
Egunlusi et al. (2024)
4 other articles

1 mention without citation

8-Hydroxyquinolylnitrones as multifunctional ligands for the therapy of neurodegenerative diseases.
Knez et al. (2023)