› 1pj2

X-ray diffraction
2.3Å resolution

Crystal structure of human mitochondrial NAD(P)+-dependent malic enzyme in a pentary complex with natural substrate malate, cofactor NADH, Mn++, and allosteric activator fumarate

Released:
DOI: 10.2210/pdb1pj2/pdb
PDB entry 1pj2 coloured by chain, front view.
PDB entry 1pj2 coloured by chain, side view.
PDB entry 1pj2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of substrate complexes of malic enzyme and insights into the catalytic mechanism.
Tao X, Yang Z, Tong L
Structure 11 1141-50 (2003)
PMID: 12962632

Function and Biology Details

Reaction catalysed: 
(S)-malate + NAD(+) = pyruvate + CO(2) + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149937 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NAD-dependent malic enzyme, mitochondrial Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 564 amino acids
Theoretical weight: 63.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P23368 (Residues: 21-584; Coverage: 97%)
Gene name: ME2
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAI 8 x NAI
3 bound ligands:
Ligand LMR 4 x LMR
Ligand MN 4 x MN
Ligand FUM 4 x FUM
1 modified residue:
Ligand MSE 56 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: C2
Unit cell:
a: 227.283Å b: 117.345Å c: 113.024Å
α: 90° β: 109.79° γ: 90°
R-values:
R R work R free
0.21 0.205 0.256
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Trichomonas vaginalis surface proteins: a view from the genome.
Hirt et al. (2007)
1 more

5 mentions without citation

Allosteric communication occurs via networks of tertiary and quaternary motions in proteins.
Daily et al. (2009)
4 more