› 6azv

X-ray diffraction
2.76Å resolution

IDO1/BMS-978587 crystal structure

Released:
DOI: 10.2210/pdb6azv/pdb
PDB entry 6azv coloured by chain, front view.
PDB entry 6azv coloured by chain, side view.
PDB entry 6azv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Nelp MT, Kates PA, Hunt JT, Newitt JA, Balog A, Maley D, Zhu X, Abell L, Allentoff A, Borzilleri R, Lewis HA, Lin Z, Seitz SP, Yan C, Groves JT
Proc Natl Acad Sci U S A 115 3249-3254 (2018)
PMID: 29531094

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147133 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Indoleamine 2,3-dioxygenase 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 402 amino acids
Theoretical weight: 45.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P14902 (Residues: 5-403; Coverage: 99%)
Gene names: IDO, IDO1, INDO
Sequence domains: Indoleamine 2,3-dioxygenase
Structure domains: Methane Monooxygenase Hydroxylase; Chain G, domain 1

Ligands and Environments

1 bound ligand:
Ligand C4V 4 x C4V
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2
Unit cell:
a: 203.392Å b: 120.868Å c: 101.527Å
α: 90° β: 119.11° γ: 90°
R-values:
R R work R free
0.199 0.195 0.272
Expression system: Escherichia coli

Quick links

Citations

20 review citations

Targeting Metalloenzymes for Therapeutic Intervention.
Chen et al. (2019)
19 more

6 mentions without citation

Immune-modulating enzyme indoleamine 2,3-dioxygenase is effectively inhibited by targeting its apo-form.
Nelp et al. (2018)
5 more