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Titolo:
MOLECULAR MODELING OF HUMAN GASTRIC ALCOHOL-DEHYDROGENASE (CLASS-IV) AND SUBSTRATE DOCKING - DIFFERENCES TOWARDS THE CLASSICAL LIVER-ENZYME(CLASS-I)
Autore:
MORENO A; FARRES J; PARES X; JORNVALL H; PERSSON B;
Indirizzi:
KAROLINSKA INST,DEPT MED BIOCHEM & BIOPHYS S-17177 STOCKHOLM SWEDEN KAROLINSKA INST,DEPT MED BIOCHEM & BIOPHYS S-17177 STOCKHOLM SWEDEN UNIV AUTONOMA BARCELONA,DEPT BIOCHEM & MOL BIOL E-08193 BELLATERRA BARCELONA SPAIN
Titolo Testata:
FEBS letters
fascicolo: 2-3, volume: 395, anno: 1996,
pagine: 99 - 102
SICI:
0014-5793(1996)395:2-3<99:MMOHGA>2.0.ZU;2-J
Fonte:
ISI
Lingua:
ENG
Soggetto:
SIGMA-SIGMA-ADH; HUMAN STOMACH; OXIDATION; PROTEINS; SEQUENCE; CDNA;
Keywords:
ALCOHOL DEHYDROGENASE; CLASS SPECIFICITY; MOLECULAR MODELING; STRUCTURAL COMPARISON; SUBSTRATE DOCKING;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Science Citation Index Expanded
Science Citation Index Expanded
Citazioni:
17
Recensione:
Indirizzi per estratti:
Citazione:
A. Moreno et al., "MOLECULAR MODELING OF HUMAN GASTRIC ALCOHOL-DEHYDROGENASE (CLASS-IV) AND SUBSTRATE DOCKING - DIFFERENCES TOWARDS THE CLASSICAL LIVER-ENZYME(CLASS-I)", FEBS letters, 395(2-3), 1996, pp. 99-102

Abstract

A three-dimensional model of the human class IV alcohol dehydrogenasehas been calculated based upon the X-ray structure of the class I enzyme, As judged from the model, the substrate-binding site is wider than in class I, compatible,vith the differences in substrate specificities and the large difference in K-m value for ethanol, Substrate docking performed for the class I structure and the class IV model show all-trans-retinol and 11-cis-retinol to bind better to the class IV enzyme, The calculations also indicate that 16-hydroxyhexadecanoic acid binds in a different manner for the two enzyme classes, A simulation of coenzyme-binding indicates that the adenine ring of the coenzyme might be differently bound in class IV than in class I, decreasing the interactions with Asp-223 which is compatible with the higher k(cat) values for class IV.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 29/11/20 alle ore 03:32:11