› 4m49

X-ray diffraction
2.05Å resolution

Lactate Dehydrogenase A in complex with a substituted pyrazine inhibitor compound 18

Released:
DOI: 10.2210/pdb4m49/pdb
PDB entry 4m49 coloured by chain, front view.
PDB entry 4m49 coloured by chain, side view.
PDB entry 4m49 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.
Fauber BP, Dragovich PS, Chen J, Corson LB, Ding CZ, Eigenbrot C, Giannetti AM, Hunsaker T, Labadie S, Liu Y, Liu Y, Malek S, Peterson D, Pitts K, Sideris S, Ultsch M, VanderPorten E, Wang J, Wei B, Yen I, Yue Q
Bioorg Med Chem Lett 23 5533-9 (2013)
PMID: 24012183

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132412 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
L-lactate dehydrogenase A chain Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 331 amino acids
Theoretical weight: 36.6 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00338 (Residues: 2-332; Coverage: 100%)
Gene names: LDHA, PIG19
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAI 4 x NAI
4 bound ligands:
Ligand EPE 3 x EPE
Ligand 22Y 3 x 22Y
Ligand SO4 3 x SO4
Ligand LAC 1 x LAC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: C2
Unit cell:
a: 168.379Å b: 81.821Å c: 120.665Å
α: 90° β: 117.65° γ: 90°
R-values:
R R work R free
0.172 0.171 0.224
Expression system: Escherichia coli

Quick links

Citations

3 review citations

An update on therapeutic opportunities offered by cancer glycolytic metabolism.
Granchi et al. (2014)
2 more

8 mentions without citation

Small Molecule-Based Enzyme Inhibitors in the Treatment of Primary Hyperoxalurias.
Moya-Garzon et al. (2021)
7 more