Application | Comment | Organism |
---|---|---|
drug development | the enzyme is a target for drugs treating the witches broom disease caused by Moniliophthora perniciosa in Theobroma cacao | Moniliophthora perniciosa |
Crystallization (Comment) | Organism |
---|---|
structure-based drug design studies. The molecular recognition of the enzyme with the substrates occurs mainly by hydrogen bonds between ligands and Arg116, Arg383, Gly381, and Lys408 amino acids, and few hydrophobic interactions with Tyr382 and Lys123 residues | Moniliophthora perniciosa |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2,3-dihydroxy-5-nitrophenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside | forms with UNAcP hydrogen bonds, Pi-cation and hydrophobic interactions | Moniliophthora perniciosa | |
2-hydroxy-5-nitrophenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside | - |
Moniliophthora perniciosa | |
2-hydroxyphenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside | - |
Moniliophthora perniciosa | |
3,4-dihydroxyphenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside | - |
Moniliophthora perniciosa | |
3-hydroxyphenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside | - |
Moniliophthora perniciosa | |
3-nitrophenyl 2-acetamido-2-deoxy-alpha-D-xylo-hexopyranoside | - |
Moniliophthora perniciosa | |
3-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-N-[2-[(3-hydroxypropyl)carbamoyl]phenyl]benzamide | - |
Moniliophthora perniciosa | |
3-[[2-acetamido-2-deoxy-alpha-D-xylo-hexopyranosyl]oxy]-2-hydroxybenzoic acid | - |
Moniliophthora perniciosa | |
3-[[2-acetamido-2-deoxy-alpha-L-xylo-hexopyranosyl]oxy]benzoic acid | - |
Moniliophthora perniciosa | |
5'-(3-[[2-acetamido-2-deoxy-alpha-L-xylo-hexopyranosyl]oxy]-2-hydroxyanilino)-5'-deoxyuridine | - |
Moniliophthora perniciosa | |
additional information | N-acetylglucosamine derivative inhibitors design and synthesis, inhibitor docking studies and simulation, RMS and binding energies, overview | Moniliophthora perniciosa | |
N-[(1R,2R,4R,6S)-6-(2,3-dihydroxy-5-nitrophenoxy)-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide | inhibitor identified by strucutre-based drug design, best binding energy of ?95.2 kcal/mol among the compounds analyzed | Moniliophthora perniciosa | |
N-[(2R,3R,4R,6R)-2-(2,3-dihydroxy-5-nitrophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide | most active inhibitor among compounds tested, forms a hydrogen bonding network with residues Arg116, Gly381, Arg383 and Lys408, with the distance ranging from 2.9 A to and 3.14 A. The hydrophobic interaction is observed with the aromatic ring of Tyr382 with a distance of 3.85 A. The aromatic ring of the inhibitor also interacts with the Lys123 through a pi-cation interaction, with a distance of 3.99 A | Moniliophthora perniciosa |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
UTP + N-acetyl-alpha-D-glucosamine 1-phosphate | Moniliophthora perniciosa | - |
diphosphate + UDP-N-acetyl-alpha-D-glucosamine | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Moniliophthora perniciosa | - |
- |
- |
Moniliophthora perniciosa | E2LRY8 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
additional information | the molecular recognition of the enzyme with the substrates occurs mainly by hydrogen bonds between ligands and Arg116, Arg383, Gly381, and Lys408 amino acids, and few hydrophobic interactions with Tyr382 and Lys123 residues | Moniliophthora perniciosa | ? | - |
? | |
UTP + N-acetyl-alpha-D-glucosamine 1-phosphate | - |
Moniliophthora perniciosa | diphosphate + UDP-N-acetyl-alpha-D-glucosamine | - |
? |
Synonyms | Comment | Organism |
---|---|---|
UDP-N-acetylglucosamine pyrophosphorylase | - |
Moniliophthora perniciosa |
UNAcP | - |
Moniliophthora perniciosa |
General Information | Comment | Organism |
---|---|---|
malfunction | the inhibition of this enzyme results in the fungal cell death | Moniliophthora perniciosa |
physiological function | UDP-N-acetylglucosamine pyrophosphorylase (UNAcP) is a key enzyme to construct the fungal cell wall | Moniliophthora perniciosa |