7pjm

X-ray diffraction
2.1Å resolution

Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate

Released:
Source organism: Homo sapiens
Entry authors: Reinbold R, Rabe P, Abboud MI, Schofield CJ

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Isocitrate dehydrogenase [NADP] cytoplasmic Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 422 amino acids
Theoretical weight: 47.8 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O75874 (Residues: 1-414; Coverage: 100%)
Gene names: IDH1, PICD
Sequence domains: Isocitrate/isopropylmalate dehydrogenase

Ligands and Environments


Cofactor: Ligand NDP 3 x NDP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: C2221
Unit cell:
a: 96.58Å b: 273.01Å c: 117.42Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.182 0.18 0.21
Expression system: Escherichia coli BL21(DE3)