X-ray diffraction
2.25Å resolution

Co-crystal structure of human NicotinamideN-Methyltransferase (NNMT) in complex with High-Affinity Alkynyl Bisubstrate Inhibitor NS1


Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo tetramer
Entry contents:
1 distinct polypeptide molecule
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)
  • Canonical: P40261 (Residues: 1-264; Coverage: 100%)
Gene name: NNMT
Sequence domains: NNMT/PNMT/TEMT family

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P1
Unit cell:
a: 46.074Å b: 62.203Å c: 108.202Å
α: 82.519° β: 81.844° γ: 68.353°
R R work R free
0.224 0.222 0.263
Expression system: Escherichia coli BL21(DE3)