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Literature summary extracted from
- Inhibitors of bacterial N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) and demonstration of in vitro antimicrobial activity (2009), Bioorg. Med. Chem. Lett., 19, 6350-6352.
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 3.5.1.18 | (2-carboxyethyl)-phosphonic acid | slight inhibition | Haemophilus influenzae |  |
| 3.5.1.18 | 2-thiopheneboronic acid | noncompetitive | Haemophilus influenzae | |
| 3.5.1.18 | 3-mercaptobenzoic acid | - |
Haemophilus influenzae | |
| 3.5.1.18 | 4-sulfanylbutanoic acid | - |
Haemophilus influenzae | |
| 3.5.1.18 | aceto-hydroxamic acid | slight inhibition | Haemophilus influenzae | |
| 3.5.1.18 | D-captopril | - |
Haemophilus influenzae | |
| 3.5.1.18 | D-penicillamine | competitive | Haemophilus influenzae | |
| 3.5.1.18 | enalapril | maleate salt, slight inhibition | Haemophilus influenzae | |
| 3.5.1.18 | L-captopril | - |
Haemophilus influenzae | |
| 3.5.1.18 | L-Penicillamine | - |
Haemophilus influenzae | |
| 3.5.1.18 | additional information | no or poor inhibition by butylboronic acid, 4-carboxyphenylboronic acid, and 3-carboxyphenylboronic acid | Haemophilus influenzae | |
| 3.5.1.18 | N-(benzyloxycarbonyl)hydroxylamine | slight inhibition | Haemophilus influenzae | |
| 3.5.1.18 | N-phenyl-thiourea | slight inhibition | Haemophilus influenzae | |
| 3.5.1.18 | phenylboronic acid | competitive | Haemophilus influenzae | |
Metals/Ions
| EC Number | Metals/Ions | Comment | Organism | Structure |
|---|---|---|---|---|
| 3.5.1.18 | Zn2+ | the enzyme requires two Zn2+ ions. Each of the Zn(II) ions adopts a distorted tetrahedral geometry and is coordinated by one imidazole group, H67 for Zn1 and H349 for Zn2, and one carboxylate group, E163 for Zn1 and E135 for Zn2. Both Zn(II) ions are bridged by an additional carboxylate groups of residue D100 on one side and water/hydroxide on the opposite side, forming a (mu-aquo)(mu-carboxylato)dizinc(II) core with one terminal carboxylate and one histidine residue at each metal site | Haemophilus influenzae | |
Natural Substrates/ Products (Substrates)
| EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.5.1.18 | N-succinyl LL-diaminopimelic acid + H2O | Haemophilus influenzae | - |
succinate + LL-2,6-diaminoheptanedioate | - |
? | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 3.5.1.18 | Haemophilus influenzae | - |
gene dapE | - |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.5.1.18 | N-succinyl LL-diaminopimelic acid + H2O | - |
Haemophilus influenzae | succinate + LL-2,6-diaminoheptanedioate | - |
? | |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 3.5.1.18 | DapE | - |
Haemophilus influenzae |
| 3.5.1.18 | N-succinyl-L,L-diaminopimelic acid desuccinylase | - |
Haemophilus influenzae |
Ki Value [mM]
| EC Number | Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 3.5.1.18 | 0.0018 | - |
L-captopril | pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | |
| 3.5.1.18 | 0.0046 | - |
L-Penicillamine | pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | |
| 3.5.1.18 | 0.0569 | - |
phenylboronic acid | pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | |
| 3.5.1.18 | 0.067 | - |
2-thiopheneboronic acid | pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | |
| 3.5.1.18 | 0.8 | - |
(2-carboxyethyl)-phosphonic acid | pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | |
IC50 Value
| EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|---|
| 3.5.1.18 | 0.0033 | - |
pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | L-captopril | |
| 3.5.1.18 | 0.01 | - |
above, pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | N-phenyl-thiourea | |
| 3.5.1.18 | 0.0137 | - |
pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | L-Penicillamine | |
| 3.5.1.18 | 0.034 | - |
pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | 3-mercaptobenzoic acid | |
| 3.5.1.18 | 0.042 | - |
pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | D-captopril | |
| 3.5.1.18 | 0.043 | - |
pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | 4-sulfanylbutanoic acid | |
| 3.5.1.18 | 0.05 | - |
pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | D-penicillamine | |
| 3.5.1.18 | 0.092 | - |
pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | 2-thiopheneboronic acid | |
| 3.5.1.18 | 0.107 | - |
pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | phenylboronic acid | |
| 3.5.1.18 | 1 | - |
above, pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | enalapril | |
| 3.5.1.18 | 1 | - |
above, pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | aceto-hydroxamic acid | |
| 3.5.1.18 | 1 | - |
above, pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | N-(benzyloxycarbonyl)hydroxylamine | |
| 3.5.1.18 | 1.62 | - |
pH not specified in the publication, temperature not specified in the publication | Haemophilus influenzae | (2-carboxyethyl)-phosphonic acid | |
General Information
| EC Number | General Information | Comment | Organism |
|---|---|---|---|
| 3.5.1.18 | physiological function | DapE is a critical bacterial enzyme for the construction of the bacterial cell wall. | Haemophilus influenzae |
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