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Literature summary for 1.4.1.16 extracted from

  • Wang, H.; Kellogg, G.E.; Xu, P.; Zhang, Y.
    Exploring the binding mechanisms of diaminopimelic acid analogs to meso-diaminopimelate dehydrogenase by molecular modeling (2018), J. Mol. Graph. Model., 83, 100-111 .
    View publication on PubMedView publication on EuropePMC
Search for more literature for 1.4.1.16

Inhibitors

Inhibitors Comment Organism Structure
(2E,6S)-6-aminohept-2-enedioic acid compound identified by molecular dynamics simulation, the predicted binding free energy of the compound with the enzyme is -29.86 kcal/mol, compared to -34.70 kcal/mol for diaminopimelate Porphyromonas gingivalis
(2S)-2-amino-6-methylideneheptanedioic acid compound identified by molecular dynamics simulation, the predicted binding free energy of the compound with the enzyme is -31.38 kcal/mol, compared to -34.70 kcal/mol for diaminopimelate Porphyromonas gingivalis
(5R)-5-[(2S)-2-amino-2-carboxyethyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid compound identified by molecular dynamics simulation, the predicted binding free energy of the compound with the enzyme is -19.77 kcal/mol, compared to -34.70 kcal/mol for diaminopimelate Porphyromonas gingivalis
(5S)-5-[(2S)-2-amino-2-carboxyethyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid compound identified by molecular dynamics simulation, the predicted binding free energy of the compound with the enzyme is -18.89 kcal/mol, compared to -34.70 kcal/mol for diaminopimelate Porphyromonas gingivalis

Organism

Organism UniProt Comment Textmining
Porphyromonas gingivalis Q7MW40
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Porphyromonas gingivalis W83 Q7MW40
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