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Literature summary extracted from

  • Yao, J.; Chen, X.; Zheng, F.; Zhan, C.G.
    Catalytic reaction mechanism for drug metabolism in human carboxylesterase-1 cocaine hydrolysis pathway (2018), Mol. Pharm., 15, 3871-3880 .
    View publication on PubMed

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
3.1.1.1 additional information
-
 additional information kinetic analysis is performed for human CE-1-catalyzed cocaine hydrolysis, Michalis-Menten kinetics, thermodynamics, overview Homo sapiens

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
3.1.1.1 cocaine + H2O Homo sapiens CE-1 is responsible for the methyl ester hydrolysis of cocaine O-benzoylecgonine + methanol
-
 ?
3.1.1.1 additional information Homo sapiens in comparison with the (-)-cocaine hydrolysis (benzoyl ester) in vivo, the faster (-)-cocaine hydrolysis (methyl ester) in vivo is solely due to the high abundance of CE-1 in the body ?
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
3.1.1.1 Homo sapiens P23141
-
-

Reaction

EC Number Reaction Comment Organism Reaction ID
3.1.1.1 a carboxylic ester + H2O = an alcohol + a carboxylate catalytic mechanism for hydrolysis occurring at the methyl ester group in CE-1-cocaine, quantum mechanical/molecular mechanical (QM/MM) reaction-coordinate calculations, overview Homo sapiens
a

Specific Activity [micromol/min/mg]

EC Number Specific Activity Minimum [µmol/min/mg] Specific Activity Maximum [µmol/min/mg] Comment Organism
3.1.1.1 0.00097
-
 substrate cocaine, pH 7.4, temperature not specified in the publication Homo sapiens

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.1.1.1 (-)-cocaine + H2O CE-1 catalyzed hydrolysis of (-)-cocaine, reaction mechanism of cocaine hydrolysis catalyzed by CE-1, overview. Two reaction steps: a single-step acylation process and a single-step deacylation process. In the transition states of both single-step processes, the cocaine NH group joins the oxyanion hole to form an additional hydrogen bond with the negatively charged carbonyl oxygen atom of the cocaine. The transition states are stabilized by both intermolecular and intramolecular hydrogen bonds with the methyl ester of cocaine, specifically the carbonyl oxygen atom. The rate-limiting transition state is associated with the acylation process Homo sapiens O-benzoylecgonine + methanol
-
 ?
3.1.1.1 cocaine + H2O CE-1 is responsible for the methyl ester hydrolysis of cocaine Homo sapiens O-benzoylecgonine + methanol
-
 ?
3.1.1.1 additional information in comparison with the (-)-cocaine hydrolysis (benzoyl ester) in vivo, the faster (-)-cocaine hydrolysis (methyl ester) in vivo is solely due to the high abundance of CE-1 in the body Homo sapiens ?
-
 ?

Synonyms

EC Number Synonyms Comment Organism
3.1.1.1 carboxylesterase-1
-
 Homo sapiens
3.1.1.1 CE-1
-
 Homo sapiens

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
3.1.1.1 7.4
-
 assay at Homo sapiens

General Information

EC Number General Information Comment Organism
3.1.1.1 physiological function carboxylesterase-1 (CE-1) is a crucial enzyme responsible for metabolism/activation/inactivation of xenobiotics (therapeutic agents, prodrugs, abused drugs, and organophosphorus nerve agents etc.) and also involved in many other biological processes. CE-1 is responsible for the methyl ester hydrolysis of cocaine Homo sapiens