Computer modelling of human alpha 1-antitrypsin reactive site loop behaviour under mild conditions

• Autorzy: Koloczek H. , Jezierski G. , Pasenkiewicz-Gierula M.
• Języki publikacji: EN

Abstrakty

EN

Human ai-antitrypsin (cti-PI) is a member of the serpin superfamily of proteins. The reactive site loop (RSL) of the serpin binds to the active site of its target proteinase. Deficiency of ai-antitrypsin is associated with a spontaneous conformational transition in the molecule which leads to a polymer formation. Mild conditions (1 M guanidinium-HCl), temperature and point mutations within the RSL are the factors that induce polymerisation. Initiation of this process has been associated with the disruption of a salt bridge Glu342-»Lys290. In this paper the interaction of guani- dinium ion with Glu342 and Lys290 as well as the effect of this interaction on the mobility of RSL is studied by molecular modelling.

Słowa kluczowe

EN

computer modelling; man; serpin; molecular dynamics simulation; alpha-1-antitrypsin

• Wydawca: -
• Czasopismo: Acta Biochimica Polonica
• Rocznik: 1996
• Tom: 43
• Numer: 3
• Opis fizyczny: p.467-474,fig.

Twórcy

autor

Koloczek H.

• Jagiellonian University, al.A.Mickiewicza 3, 31-120 Krakow, Poland

autor

Jezierski G.

autor

Pasenkiewicz-Gierula M.

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