› 4qo7

X-ray diffraction
2.14Å resolution

Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7

Released:
DOI: 10.2210/pdb4qo7/pdb
PDB 4qo7 coloured by chain and viewed from the front.
PDB 4qo7 coloured by chain and viewed from the side.
PDB 4qo7 coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Dragovich PS, Fauber BP, Boggs J, Chen J, Corson LB, Ding CZ, Eigenbrot C, Ge H, Giannetti AM, Hunsaker T, Labadie S, Li C, Liu Y, Liu Y, Ma S, Malek S, Peterson D, Pitts KE, Purkey HE, Robarge K, Salphati L, Sideris S, Ultsch M, VanderPorten E, Wang J, Wei B, Xu Q, Yen I, Yue Q, Zhang H, Zhang X, Zhou A
Bioorg. Med. Chem. Lett. (2014)
PMID: 25037916

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)
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 36V 3 x 36V
Ligand 2OP 1 x 2OP
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: C2
Unit cell:
a: 168.481Å b: 81.101Å c: 120.307Å
α: 90° β: 117.38° γ: 90°
R-values:
R R work R free
0.161 0.158 0.207
Expression system: Escherichia coli

Quick links

Citations

3 review citations

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

4 mentions without citation

Three-Dimensional Analysis of the Interactions between hLDH5 and Its Inhibitors.
Poli et al. (2017)
3 more