6bl0

X-ray diffraction
2.17Å resolution

Novel Modes of Inhibition of Wild-Type IDH1:Direct Covalent Modification of His315 with Cmpd11

Released:

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: 425 amino acids
Theoretical weight: 48.15 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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 NAP 2 x NAP
3 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2221
Unit cell:
a: 98.195Å b: 274.328Å c: 115.059Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.196 0.227
Expression system: Escherichia coli