› 4a6e

X-ray diffraction
2.7Å resolution

Crystal structure of human N-acetylserotonin methyltransferase (ASMT) in complex with SAM and N-acetylserotonin

Released:
DOI: 10.2210/pdb4a6e/pdb
PDB entry 4a6e coloured by chain, front view.
PDB entry 4a6e coloured by chain, side view.
PDB entry 4a6e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure and functional mapping of human ASMT, the last enzyme of the melatonin synthesis pathway.
Botros HG, Legrand P, Pagan C, Bondet V, Weber P, Ben-Abdallah M, Lemière N, Huguet G, Bellalou J, Maronde E, Beguin P, Haouz A, Shepard W, Bourgeron T
J Pineal Res 54 46-57 (2013)
PMID: 22775292

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + N-acetylserotonin = S-adenosyl-L-homocysteine + melatonin
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155488 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acetylserotonin O-methyltransferase Chain: A
Molecule details ›
Chain: A
Length: 353 amino acids
Theoretical weight: 39.48 KDa
Source organism: Homo sapiens
Expression system: Leishmania tarentolae
UniProt:
  • Canonical: P46597 (Residues: 1-345; Coverage: 100%)
Gene name: ASMT
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand SAM 1 x SAM
4 bound ligands:
Ligand ZN 1 x ZN
Ligand ASE 1 x ASE
Ligand SO4 6 x SO4
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: R32
Unit cell:
a: 170.08Å b: 170.08Å c: 128.22Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.165 0.163 0.212
Expression system: Leishmania tarentolae

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Citations

6 review citations

Cytoguardin: A Tryptophan Metabolite against Cancer Growth and Metastasis.
Wu KK. (2021)
5 more

2 mentions without citation

Ni(II) Ions May Target the Entire Melatonin Biosynthesis Pathway-A Plausible Mechanism of Nickel Toxicity.
Wezynfeld et al. (2022)
1 more