Találati lista | Tudóstér

001-es BibID:	BIBFORM031396
035-os BibID:	(Scopus)23044435795 (WoS)000230778100016 (PMID)15971204
Első szerző:	Fuxreiter Mónika (kutató vegyész)
Cím:	Flexibility of prolyl oligopeptidase : molecular dynamics and molecular framework analysis of the potential substrate pathways / Monika Fuxreiter, Csaba Magyar, Tünde Juhász, Zoltán Szeltner, László Polgár, István Simon
Dátum:	2005
Megjegyzések:	The flexibility of prolyl oligopeptidase has been investigated using molecular dynamics (MD) and molecular framework approaches to delineate the route of the substrate to the active site. The selectivity of the enzyme is mediated by a seven-bladed beta-propeller that in the crystal structure does not indicate the possible passage for the substrate to the catalytic center. Its open topology however, could allow the blades to move apart and let the substrate into the large central cavity. Flexibility analysis of prolyl oligopeptidase structure using the FIRST (Floppy Inclusion and Rigid Substructure Topology) approach and the atomic fluctuations derived from MD simulations demonstrated the rigidity of the propeller domain, which does not permit the substrate to approach the active site through this domain. Instead, a smaller tunnel at the inter-domain region comprising the highly flexible N-terminal segment of the peptidase domain and a facing hydrophilic loop from the propeller (residues 192-205) was identified by cross-correlation analysis and essential dynamics as the only potential pathway for the substrate. The functional importance of the flexible loop has been also verified by kinetic analysis of the enzyme with a split loop. Catalytic effect of engineered disulfide bridges was rationalized by characterizing the concerted motions of the two domains.
Tárgyszavak:	Természettudományok Biológiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban egyetemen (Magyarországon) készült közlemény
Megjelenés:	Proteins. - 60 : 3 (2005), p. 504-512. -
További szerzők:	Magyar Csaba Juhász Tünde Szeltner Zoltán Polgár László Simon István
Internet cím:	Intézményi repozitóriumban (DEA) tárolt változat DOI
Borító:
Saját polcon: