Figure 3.

Molecular model of LDH-A tetramer in complex with NADH and 5-ALA. The four close-up views of the LDH-A active sites are color coded according to chain ID, as indicated in panels (A–D). The bound inhibitors are illustrated with yellow C atoms and the NADH co-factor with gray C atoms; for all representations, N is blue, O is red, and P is orange. Dashed lines indicate potential hydrogen-bonding interactions of 5-ALA, with distances shown in Å between heavy atoms. Panels (E–G) illustrate the LDH-A active site in complex with pyruvate (PYR), oxamate (OXM), and tartonate (TART) from the corresponding models (monomer B) employed in MDs for comparison. Residue numbering of LDH-A is according to PDB ID: 5W8H [12], which lacks Met1 residue, so numbering is (i–1) with reference to the UniProt sequence ID P00338.