› 2h11

X-ray diffraction
1.89Å resolution

Amino-terminal Truncated Thiopurine S-Methyltransferase Complexed with S-Adenosyl-L-Homocysteine

Released:
DOI: 10.2210/pdb2h11/pdb
PDB entry 2h11 coloured by chain, front view.
PDB entry 2h11 coloured by chain, side view.
PDB entry 2h11 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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 232 amino acids
Theoretical weight: 26.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P51580 (Residues: 16-245; Coverage: 94%)
Gene name: TPMT
Sequence domains: Thiopurine S-methyltransferase (TPMT)
Structure domains: Vaccinia Virus protein VP39

Ligands and Environments


Cofactor: Ligand SAH 2 x SAH
2 bound ligands:
Ligand SCN 4 x SCN
Ligand B3P 3 x B3P
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P42
Unit cell:
a: 85.636Å b: 85.636Å c: 69.818Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.203 0.236
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

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

15 mentions without citation

Influenza B: Prospects for the Development of Cross-Protective Vaccines.
Tsybalova et al. (2022)
14 more