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Literature summary extracted from
- Kinetic characterization of cholinesterases and a therapeutically valuable cocaine hydrolase for their catalytic activities against heroin and its metabolite 6-monoacetylmorphine (2018), Chem. Biol. Interact., 293, 107-114 .
Cloned(Commentary)
| EC Number | Cloned (Comment) | Organism |
|---|---|---|
| 3.1.1.7 | C-terminally truncated human enzyme (AChE) is genetically fused to the N-terminal of the Fc portion of wild-type human IgG (Fc(WT)) by overlapping extension PCR, cloned and ligated to the pCMV-MCS expression vector and expressed in CHO-S cells | Homo sapiens |
| 3.1.1.8 | C-terminally truncated human enzyme (BChE) is genetically fused to the N-terminal of the Fc portion of wild-type human IgG (Fc(WT)) by overlapping extension PCR, cloned and ligated to the pCMV-MCS expression vector and expressed in CHO-S cells | Homo sapiens |
| 3.1.1.84 | enzyme CocH1, the A199S/F227A/S287G/A328W mutant of human BChE (EC 3.1.1.8) containing C-terminal human serum albumin (HSA) is generated and cloned in to pCMV-MCS and expressed in CHO-S cells | Homo sapiens |
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 3.1.1.84 | additional information | potential inhibitory activity of heroin or 6-monoacetylmorphine against CocH1-catalyzed hydrolysis of another substrate like (-)-cocaine | Homo sapiens |
KM Value [mM]
| EC Number | KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 3.1.1.7 | 0.259 | - |
6-monoacetylmorphine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens |  |
| 3.1.1.7 | 2.17 | - |
heroin | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.8 | 0.0045 | - |
(-)-cocaine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.8 | 0.12 | - |
heroin | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.8 | 8.6 | - |
6-monoacetylmorphine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.84 | 0.0031 | - |
(-)-cocaine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.84 | 0.245 | - |
heroin | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.84 | 0.292 | - |
6-monoacetylmorphine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
Natural Substrates/ Products (Substrates)
| EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.1.1.7 | acetylcholine + H2O | Homo sapiens | - |
choline + acetate | - |
? | |
| 3.1.1.8 | butyrylcholine + H2O | Homo sapiens | - |
choline + butyrate | - |
? | |
| 3.1.1.84 | 6-monoacetylmorphine + H2O | Homo sapiens | - |
morphine + acetate | - |
? | |
| 3.1.1.84 | heroin + H2O | Homo sapiens | - |
6-monoacetylmorphine + acetate | - |
? | |
| 3.1.1.84 | additional information | Homo sapiens | heroin hydrolysis to 6-MAM and morphine is accelerated by cholinesterases, including acetylcholinesterase (AChE, EC 3.1.1.7) and/or butyrylcholinesterase (BChE, EC 3.1.1.8) | ? | - |
? | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 3.1.1.7 | Homo sapiens | P22303 | - |
- |
| 3.1.1.8 | Homo sapiens | P06276 | - |
- |
| 3.1.1.84 | Homo sapiens | O00748 | - |
- |
Purification (Commentary)
| EC Number | Purification (Comment) | Organism |
|---|---|---|
| 3.1.1.7 | recombinant C-terminally truncated enzyme AChE from CHO-S cells by affinity chromatography | Homo sapiens |
| 3.1.1.8 | recombinant C-terminally truncated enzyme BChE from CHO-S cells by affinity chromatography | Homo sapiens |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.1.1.7 | 6-monoacetylmorphine + H2O | - |
Homo sapiens | morphine + acetate | - |
? | |
| 3.1.1.7 | acetylcholine + H2O | - |
Homo sapiens | choline + acetate | - |
? | |
| 3.1.1.7 | heroin + H2O | - |
Homo sapiens | 6-monoacetylmorphine + acetate | - |
? | |
| 3.1.1.7 | additional information | substrate specificities of AChE compared to butyrylcholinesterase (EC 3.1.1.8) and cocaine esterase (EC 3.1.1.84) | Homo sapiens | ? | - |
? | |
| 3.1.1.8 | (-)-cocaine + H2O | - |
Homo sapiens | ecgonine methyl ester + benzoate | - |
? | |
| 3.1.1.8 | 6-monoacetylmorphine + H2O | - |
Homo sapiens | morphine + acetate | - |
? | |
| 3.1.1.8 | butyrylcholine + H2O | - |
Homo sapiens | choline + butyrate | - |
? | |
| 3.1.1.8 | heroin + H2O | - |
Homo sapiens | 6-monoacetylmorphine + acetate | - |
? | |
| 3.1.1.8 | additional information | substrate specificities compared to acetylcholinesterase (EC 3.1.1.7) and cocaine esterase (EC 3.1.1.84) | Homo sapiens | ? | - |
? | |
| 3.1.1.84 | (-)-cocaine + H2O | - |
Homo sapiens | ecgonine methyl ester + benzoate | - |
? | |
| 3.1.1.84 | 6-monoacetylmorphine + H2O | - |
Homo sapiens | morphine + acetate | - |
? | |
| 3.1.1.84 | heroin + H2O | - |
Homo sapiens | 6-monoacetylmorphine + acetate | - |
? | |
| 3.1.1.84 | additional information | heroin hydrolysis to 6-MAM and morphine is accelerated by cholinesterases, including acetylcholinesterase (AChE, EC 3.1.1.7) and/or butyrylcholinesterase (BChE, EC 3.1.1.8) | Homo sapiens | ? | - |
? | |
| 3.1.1.84 | additional information | the enzyme activity for converting 6-monoacetylmorphine to morphine is much lower than that for converting heroin to 6-monoacetylmorphine. Substrate specificities compared to acetylcholinesterase (EC 3.1.1.7) and butyrylcholinesterase (EC 3.1.1.8) | Homo sapiens | ? | - |
? | |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 3.1.1.7 | AChE | - |
Homo sapiens |
| 3.1.1.8 | BChE | - |
Homo sapiens |
| 3.1.1.8 | butyrylcholinesterase | - |
Homo sapiens |
| 3.1.1.84 | 6-MAM hydrolyse | - |
Homo sapiens |
| 3.1.1.84 | cocaine hydrolase | - |
Homo sapiens |
| 3.1.1.84 | CocH1 | - |
Homo sapiens |
| 3.1.1.84 | heroin hydrolyse | - |
Homo sapiens |
Temperature Optimum [°C]
| EC Number | Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|---|
| 3.1.1.7 | 37 | - |
assay at | Homo sapiens |
| 3.1.1.8 | 37 | - |
assay at | Homo sapiens |
| 3.1.1.84 | 37 | - |
assay at | Homo sapiens |
Turnover Number [1/s]
| EC Number | Turnover Number Minimum [1/s] | Turnover Number Maximum [1/s] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 3.1.1.7 | 35 | - |
heroin | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.7 | 118 | - |
6-monoacetylmorphine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.8 | 0.0042 | - |
6-monoacetylmorphine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.8 | 0.068 | - |
(-)-cocaine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.8 | 30.67 | - |
heroin | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.84 | 0.0037 | - |
6-monoacetylmorphine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.84 | 35.8 | - |
heroin | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.84 | 51 | - |
(-)-cocaine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
pH Optimum
| EC Number | pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|---|
| 3.1.1.7 | 7.4 | - |
assay at | Homo sapiens |
| 3.1.1.8 | 7.4 | - |
assay at | Homo sapiens |
| 3.1.1.84 | 7.4 | - |
assay at | Homo sapiens |
Ki Value [mM]
| EC Number | Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 3.1.1.84 | additional information | - |
additional information | inhibition kinetics, kinetic modelling, overview | Homo sapiens |
General Information
| EC Number | General Information | Comment | Organism |
|---|---|---|---|
| 3.1.1.7 | additional information | enzyme structure homology modelling, molecular dynamics simulations on the structures of enzyme-substrate complexes using the crystal structures of AChE (PDB ID 1B41), and BChE (PDB IDs 2XQF and 1P0P), molecular docking, overview. The positively charged amino-group of the substrates (heroin and 6-MAM) is placed in the choline-binding site near Trp82 in BChE and CocH1 or Trp86 in AChE. The binding models of heroin and 6-MAM in the corresponding enzyme-substrate complexes are optimized by performing the energy minimization | Homo sapiens |
| 3.1.1.8 | additional information | enzyme structure homology modelling, molecular dynamics simulations on the structures of enzyme-substrate complexes using the crystal structures of AChE (PDB ID 1B41), and BChE (PDB IDs 2XQF and 1P0P), molecular docking, overview. The positively charged amino-group of the substrates (heroin and 6-monoacetylmorphine) is placed in the choline-binding site near Trp82 in BChE and CocH1 or Trp86 in AChE. The binding models of heroin and 6-monoacetylmorphine in the corresponding enzyme-substrate complexes are optimized by performing the energy minimization | Homo sapiens |
| 3.1.1.84 | additional information | enzyme structure homology modelling, molecular dynamics simulations on the structures of enzyme-substrate complexes using the crystal structures of AChE (PDB ID 1B41), and BChE (PDB IDs 2XQF and 1P0P), molecular docking, overview. The positively charged amino-group of the substrates (heroin and 6-monoacetylmorphine) is placed in the choline-binding site near Trp82 in BChE and CocH1 or Trp86 in AChE. The binding models of heroin and 6-monoacetylmorphine in the corresponding enzyme-substrate complexes are optimized by performing the energy minimization | Homo sapiens |
kcat/KM [mM/s]
| EC Number | kcat/KM Value [1/mMs-1] | kcat/KM Value Maximum [1/mMs-1] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 3.1.1.7 | 16.13 | - |
heroin | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.7 | 455.47 | - |
6-monoacetylmorphine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.8 | 0.0005 | - |
6-monoacetylmorphine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.8 | 15.19 | - |
(-)-cocaine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.8 | 255.56 | - |
heroin | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.84 | 0.0005 | - |
6-monoacetylmorphine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.84 | 0.013 | - |
heroin | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.84 | 16452 | - |
(-)-cocaine | recombinant enzyme, pH 7.4, 37°C | Homo sapiens | |
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