› 7tx2

X-ray diffraction
2.43Å resolution

Crystal structure of human phenylethanolamine N-methyltransferase (PNMT) in complex with (2S)-2-amino-4-(((5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)(4-(7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl)butyl)amino)butanoic acid

Released:
DOI: 10.2210/pdb7tx2/pdb
PDB entry 7tx2 coloured by chain, front view.
PDB entry 7tx2 coloured by chain, side view.
PDB entry 7tx2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Cell-Effective Transition-State Analogue of Phenylethanolamine N-Methyltransferase.
Mahmoodi N, Minnow YVT, Harijan RK, Bedard GT, Schramm VL
Biochemistry 62 2257-2268 (2023)
PMID: 37467463

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-145655 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Phenylethanolamine N-methyltransferase Chains: A, B
Molecule details ›
Chains: A, B
Length: 294 amino acids
Theoretical weight: 32.33 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11086 (Residues: 1-282; Coverage: 100%)
Gene names: PENT, PNMT
Sequence domains: NNMT/PNMT/TEMT family

Ligands and Environments

2 bound ligands:
Ligand EDO 3 x EDO
Ligand KNX 2 x KNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P43212
Unit cell:
a: 93.484Å b: 93.484Å c: 187.61Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.207 0.248
Expression system: Escherichia coli

Quick links

Citations

1 mention without citation

Cell-Effective Transition-State Analogue of Phenylethanolamine N-Methyltransferase.
Mahmoodi et al. (2023)