› 6pyz

X-ray diffraction
2.02Å resolution

Crystal Structure of human Tryptophan 2,3-dioxygenase in complex with PF-06840003 in Active Site

Released:
DOI: 10.2210/pdb6pyz/pdb
PDB entry 6pyz coloured by chain, front view.
PDB entry 6pyz coloured by chain, side view.
PDB entry 6pyz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
Pham KN, Lewis-Ballester A, Yeh SR
J Am Chem Soc 141 18771-18779 (2019)
PMID: 31682426

Function and Biology Details

Reaction catalysed: 
L-tryptophan + O(2) = N-formyl-L-kynurenine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155809 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tryptophan 2,3-dioxygenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 380 amino acids
Theoretical weight: 45.18 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P48775 (Residues: 18-389; Coverage: 92%)
Gene names: TDO, TDO2
Sequence domains: Tryptophan 2,3-dioxygenase

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
2 bound ligands:
Ligand H7S 4 x H7S
Ligand ZIQ 4 x ZIQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 31-ID
Spacegroup: P21212
Unit cell:
a: 143.648Å b: 154.158Å c: 87.951Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.189 0.243
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Tryptophan: A Rheostat of Cancer Immune Escape Mediated by Immunosuppressive Enzymes IDO1 and TDO.
Kim et al. (2021)
2 more

3 mentions without citation

Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase.
Pham et al. (2019)
2 more