› 6a4i

X-ray diffraction
2.65Å resolution

Crystal Structure of human TDO inhibitor complex

Released:
DOI: 10.2210/pdb6a4i/pdb
PDB entry 6a4i coloured by chain, front view.
PDB entry 6a4i coloured by chain, side view.
PDB entry 6a4i coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Fu G, Wang J, Luo G, Wu G, Qian K

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: 391 amino acids
Theoretical weight: 46.17 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P48775 (Residues: 19-388; Coverage: 91%)
Gene names: TDO, TDO2
Sequence domains: Tryptophan 2,3-dioxygenase

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
3 bound ligands:
Ligand 9R9 4 x 9R9
Ligand TRP 3 x TRP
Ligand CIT 1 x CIT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17B1
Spacegroup: P21212
Unit cell:
a: 156.308Å b: 144.106Å c: 89.002Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.205 0.268
Expression system: Escherichia coli

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