Molecular mechanics simulation of the interaction of estrogen receptor with estrogen regulatory element.
Indian J Biochem Biophys
;
1992 Aug; 29(4): 322-9
Artículo
en Inglés
| 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:
Disponible
Índice:
IMSEAR (Asia Sudoriental)
Asunto principal:
Conformación Proteica
/
Humanos
/
ADN
/
Datos de Secuencia Molecular
/
Receptores de Estrógenos
/
Secuencias Reguladoras de Ácidos Nucleicos
/
Secuencia de Aminoácidos
Idioma:
Inglés
Revista:
Indian J Biochem Biophys
Año:
1992
Tipo del documento:
Artículo
Similares
MEDLINE
...
LILACS
LIS