› 2bzg

X-ray diffraction
1.58Å resolution

Crystal structure of thiopurine S-methyltransferase.

Released:
DOI: 10.2210/pdb2bzg/pdb
PDB entry 2bzg coloured by chain, front view.
PDB entry 2bzg coloured by chain, side view.
PDB entry 2bzg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis of allele variation of human thiopurine-S-methyltransferase.
Wu H, Horton JR, Battaile K, Allali-Hassani A, Martin F, Zeng H, Loppnau P, Vedadi M, Bochkarev A, Plotnikov AN, Cheng X
Proteins 67 198-208 (2007)
PMID: 17243178

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + a thiopurine = S-adenosyl-L-homocysteine + a thiopurine S-methylether
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156365 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thiopurine S-methyltransferase Chain: A
Molecule details ›
Chain: A
Length: 232 amino acids
Theoretical weight: 26.79 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51580 (Residues: 14-245; Coverage: 95%)
Gene name: TPMT
Sequence domains: Thiopurine S-methyltransferase (TPMT)
Structure domains: Vaccinia Virus protein VP39

Ligands and Environments


Cofactor: Ligand SAH 1 x SAH
1 bound ligand:
Ligand B3P 1 x B3P
1 modified residue:
Ligand MSE 3 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P42212
Unit cell:
a: 85.486Å b: 85.486Å c: 69.362Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.213 0.249
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Insights into S-adenosyl-l-methionine (SAM)-dependent methyltransferase related diseases and genetic polymorphisms.
Li et al. (2021)
17 other articles

12 mentions without citation

Bioinformatics and variability in drug response: a protein structural perspective.
Lahti et al. (2012)
11 more