› 4i9u

X-ray diffraction
2.5Å resolution

Crystal structure of rabbit LDHA in complex with a fragment inhibitor AP26256

Released:
DOI: 10.2210/pdb4i9u/pdb
PDB entry 4i9u coloured by chain, front view.
PDB entry 4i9u coloured by chain, side view.
PDB entry 4i9u coloured by chain, top view.
Source organism: Oryctolagus cuniculus
Primary publication:
Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.
Kohlmann A, Zech SG, Li F, Zhou T, Squillace RM, Commodore L, Greenfield MT, Lu X, Miller DP, Huang WS, Qi J, Thomas RM, Wang Y, Zhang S, Dodd R, Liu S, Xu R, Xu Y, Miret JJ, Rivera V, Clackson T, Shakespeare WC, Zhu X, Dalgarno DC
J Med Chem 56 1023-40 (2013)
PMID: 23302067

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-146607 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
L-lactate dehydrogenase A chain Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 331 amino acids
Theoretical weight: 36.48 KDa
Source organism: Oryctolagus cuniculus
UniProt:
  • Canonical: P13491 (Residues: 2-332; Coverage: 100%)
Gene name: LDHA
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 1E7 8 x 1E7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P21
Unit cell:
a: 83.69Å b: 138.74Å c: 138.17Å
α: 90° β: 94.82° γ: 90°
R-values:
R R work R free
0.222 0.222 0.273

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Citations

13 review citations

MYC, Metabolism, and Cancer.
Stine et al. (2015)
12 more

2 mentions without citation

Human lactate dehydrogenase a inhibitors: a molecular dynamics investigation.
Shi et al. (2014)
1 more