[Computational prediction of the tertiary structure of the human iduronate 2-sulfate sulfatase]. / Predicción computacional de la estructura terciaria de la iduronato 2-sulfato sulfatasa humana.
Biomedica
; 27(1): 7-20, 2007 Mar.
Article
em Es
| MEDLINE
| ID: mdl-17546220
INTRODUCTION: Hunter syndrome (MC KUSIK 309900) or mucopolysacharidosis type II is due to the deficiency of the enzyme iduronate 2 sulfate sulfatase (E.C. 3.1.6.13). This enzyme has not been crystallized, and therefore the experimental structures are not available. OBJECTIVES: A computational three-dimensional model was proposed for the iduronate 2 sulfate sulfatase enzyme. MATERIALS AND METHODS: A computational analysis of this enzyme used the following free internet software programs: Comput pI/MW, JaMBW Chapter 3.1.7, SWISS-MODEL, Geno3d, ProSup. Energy minimization was done with Discover 3 and Insight II version 2004. RESULTS: A three-dimensional conformational model was proposed. The model showed 33.3% of helix structure, 7.2% beta sheet, and 59.5% random coil. RMS values (Root Mean Square) (0.78 and 0.86A) were found when compared with other enzymes of the same family. The model presented 5 exposed N-glycosylation potential sites and an entry to the pocket that contains the amino acids of the active site. A high correlation was found between the type of mutations and the severity of the phenotype in twenty patients analyzed. CONCLUSION: The RMS values, as well as the high correlation between the type of mutation and the phenotype, indicated that the model predicts some aspects of the enzymes biological behavior.
Buscar no Google
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Simulação por Computador
/
Iduronato Sulfatase
/
Modelos Teóricos
Tipo de estudo:
Prognostic_studies
/
Risk_factors_studies
Limite:
Humans
Idioma:
Es
Revista:
Biomedica
Ano de publicação:
2007
Tipo de documento:
Article
País de afiliação:
Colômbia
País de publicação:
Colômbia