› 7ble

X-ray diffraction
2.81Å resolution

Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3)

Released:
DOI: 10.2210/pdb7ble/pdb
PDB entry 7ble coloured by chain, front view.
PDB entry 7ble coloured by chain, side view.
PDB entry 7ble coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel Inhibitors of Nicotinamide-N-Methyltransferase for the Treatment of Metabolic Disorders.
Kannt A, Rajagopal S, Hallur MS, Swamy I, Kristam R, Dhakshinamoorthy S, Czech J, Zech G, Schreuder H, Ruf S
OpenAccess logo Molecules 26 (2021)
PMID: 33668468

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + nicotinamide = S-adenosyl-L-homocysteine + 1-methylnicotinamide
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154063 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nicotinamide N-methyltransferase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 283 amino acids
Theoretical weight: 31.47 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P40261 (Residues: 1-264; Coverage: 100%)
Gene name: NNMT
Sequence domains: NNMT/PNMT/TEMT family

Ligands and Environments


Cofactor: Ligand SAH 4 x SAH
1 bound ligand:
Ligand U1W 4 x U1W
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P1
Unit cell:
a: 45.714Å b: 62.189Å c: 107.69Å
α: 91.51° β: 98.09° γ: 111.54°
R-values:
R R work R free
0.191 0.186 0.27
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Complex roles of nicotinamide N-methyltransferase in cancer progression.
Wang et al. (2022)
6 more

1 mention without citation

Novel Inhibitors of Nicotinamide-N-Methyltransferase for the Treatment of Metabolic Disorders.
Kannt et al. (2021)