› 6adi

X-ray diffraction
1.97Å resolution

Crystal Structures of IDH2 R140Q in complex with AG-881

Released:
DOI: 10.2210/pdb6adi/pdb
PDB entry 6adi coloured by chain, front view.
PDB entry 6adi coloured by chain, side view.
PDB entry 6adi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of pan-IDH inhibitor AG-881 in complex with mutant human IDH1 and IDH2.
Ma R, Yun CH
Biochem Biophys Res Commun 503 2912-2917 (2018)
PMID: 30131249

Function and Biology Details

Reaction catalysed: 
(1a) isocitrate + NADP(+) = 2-oxalosuccinate + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155800 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Isocitrate dehydrogenase [NADP], mitochondrial Chains: A, B
Molecule details ›
Chains: A, B
Length: 419 amino acids
Theoretical weight: 47.54 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P48735 (Residues: 41-452; Coverage: 91%)
Gene name: IDH2
Sequence domains: Isocitrate/isopropylmalate dehydrogenase
Structure domains: Isopropylmalate Dehydrogenase

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
1 bound ligand:
Ligand 9UO 1 x 9UO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL19U1
Spacegroup: P212121
Unit cell:
a: 57.781Å b: 118.419Å c: 126.082Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.206 0.226
Expression system: Spodoptera frugiperda

Quick links

Citations

22 review citations

Mutant Isocitrate Dehydrogenase Inhibitors as Targeted Cancer Therapeutics.
Golub et al. (2019)
21 more

1 mention without citation

Identification of medicinal compounds as potential inhibitors for mutated isocitrate dehydrogenases against chondrosarcoma.
Shah et al. (2022)