Molecular mechanics simulation of the interaction of estrogen receptor with estrogen regulatory element.
Indian J Biochem Biophys
;
1992 Aug; 29(4): 322-9
Artigo
em Inglês
| IMSEAR
| ID: sea-27380
ABSTRACT
A model for the interaction of 31 amino acid fragment (protein) from DNA binding domain of human estrogen receptor (hER) with a five base pair DNA sequence 5'GGTCA 3' from estrogen regulatory element (ERE) has been obtained using a step-wise procedure based on structural data on model peptides, DNA binding domain of hER, steric constrains imposed by tetrahedral coordination of the Cys sulphurs with zinc ion and classical secondary structural elements. Structure of the protein as well as its complex with DNA is obtained by energy minimization followed by refinement by molecular mechanics. The complex is stabilized by H-bonds between Lys22, Lys26 and Arg27 with DNA bases G2, T3 and T6. Lys22 also made H-bond with the backbone of G2. The backbone of Cys18 H-bonded with N7 of G1. DNA was in distorted B form and showed evidence of protein-induced conformational changes.
Texto completo:
DisponíveL
Índice:
IMSEAR (Sudeste Asiático)
Assunto principal:
Conformação Proteica
/
Humanos
/
DNA
/
Dados de Sequência Molecular
/
Receptores de Estrogênio
/
Sequências Reguladoras de Ácido Nucleico
/
Sequência de Aminoácidos
Idioma:
Inglês
Revista:
Indian J Biochem Biophys
Ano de publicação:
1992
Tipo de documento:
Artigo
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