› 4aou

X-ray diffraction
2.5Å resolution

CtIDH bound to NADP. The complex structures of Isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila, support a new active site locking mechanism

Released:
DOI: 10.2210/pdb4aou/pdb
PDB entry 4aou coloured by chain, front view.
PDB entry 4aou coloured by chain, side view.
PDB entry 4aou coloured by chain, top view.
Source organism: Acetivibrio thermocellus
Primary publication:
The complex structures of isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila suggest a new active site locking mechanism.
Leiros HK, Fedøy AE, Leiros I, Steen IH
FEBS Open Bio 2 159-72 (2012)
PMID: 23650595

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-107023 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Isocitrate dehydrogenase [NADP] Chain: A
Molecule details ›
Chain: A
Length: 402 amino acids
Theoretical weight: 45.84 KDa
Source organism: Acetivibrio thermocellus
Expression system: Escherichia coli
UniProt:
  • Canonical: A3DC45 (Residues: 1-402; Coverage: 100%)
Gene name: Cthe_0285
Sequence domains: Isocitrate/isopropylmalate dehydrogenase
Structure domains: Isopropylmalate Dehydrogenase

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
2 bound ligands:
Ligand ICT 1 x ICT
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P3221
Unit cell:
a: 129.2Å b: 129.2Å c: 60.59Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.192 0.189 0.244
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

Novel type II and monomeric NAD+ specific isocitrate dehydrogenases: phylogenetic affinity, enzymatic characterization, and evolutionary implication.
Wang et al. (2015)
1 more

2 mentions without citation

The Molecular and Genetic Basis of Repeatable Coevolution between Escherichia coli and Bacteriophage T3 in a Laboratory Microcosm.
Perry et al. (2015)
1 more