High-level QM/MM modelling predicts an arginine as the acid in the condensation reaction catalysed by citrate synthase.
Chem Commun (Camb)
; (16): 1874-6, 2008 Apr 28.
Article
en En
| MEDLINE
| ID: mdl-18401503
ABSTRACT
High-level ab initio quantum mechanical/molecular mechanical (QM/MM) modelling of citryl-CoA formation in citrate synthase reveals that an arginine residue acts as the proton donor; this proposed new mechanism helps to explain how chemical and large scale conformational changes are coupled in this paradigmatic enzyme.
Texto completo:
1
Colección:
01-internacional
Banco de datos:
MEDLINE
Asunto principal:
Arginina
/
Ácidos
/
Modelos Moleculares
/
Citrato (si)-Sintasa
Tipo de estudio:
Prognostic_studies
/
Risk_factors_studies
Idioma:
En
Revista:
Chem Commun (Camb)
Asunto de la revista:
QUIMICA
Año:
2008
Tipo del documento:
Article
País de afiliación:
Reino Unido