› 6adg

X-ray diffraction
3Å resolution

Crystal Structures of IDH1 R132H in complex with AG-881

Released:
DOI: 10.2210/pdb6adg/pdb
PDB entry 6adg coloured by chain, front view.
PDB entry 6adg coloured by chain, side view.
PDB entry 6adg 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-131150 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Isocitrate dehydrogenase [NADP] cytoplasmic Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 425 amino acids
Theoretical weight: 48.14 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O75874 (Residues: 1-414; Coverage: 100%)
Gene names: IDH1, PICD
Sequence domains: Isocitrate/isopropylmalate dehydrogenase
Structure domains: Isopropylmalate Dehydrogenase

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
2 bound ligands:
Ligand MG 2 x MG
Ligand 9UO 2 x 9UO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P21212
Unit cell:
a: 87.965Å b: 197.253Å c: 85.828Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.222 0.221 0.244
Expression system: Spodoptera frugiperda

Quick links

Citations

19 review citations

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

9 mentions without citation

Isocitrate dehydrogenase variants in cancer - Cellular consequences and therapeutic opportunities.
Liu et al. (2020)
8 more