Naslov
Modeliranje stabilnosti heksamernog i dimernog oblika purinske nukleozidne fosforilaze iz bakterije Escherichia coli
(Stability of the dimeric and hexameric form of purine nucleoside phosphorylase from Escherichia coli – a computational study)

Autori
Hajnić, Matea

Vrsta, podvrsta i kategorija rada
Ocjenski radovi, diplomski rad, diplomski

Fakultet
Prirodoslvono-matematički fakultet

Mjesto
Zagreb

Datum
24.09

Godina
2012

Stranica
27

Mentor
Bertoša, Branimir

Ključne riječi
molekularna dinamika ; molekularna mehanika ; in silico mutacije
(molecular dynamics ; molecular mechanics ; in silico mutations)

Sažetak
Purine nucleoside phosphorylase (PNP) is one of the key enzymes in purine salvage pathway which helps cells to recover nucleotides from degradation intermediates of nucleic acids. Biologically active form of PNP in Escherichia coli is a homohexamer, also seen as a trimer of dimers mutually connected with non-covalent bonds, and still with no cooperativity proven between them. In order to examine if a dimer is sufficient for catalysis, combinations of mutations were introduced in silico into hexameric structure of wild type PNP from E.coli. Mutations or combinations thereof were introduced to disrupt the homohexameric form and to obtain stable dimers in solution. Based on the results obtained from molecular dynamic simulations, a mutant with the most promising combination of mutations was identified. These specific mutations could potentially cause the breakdown of hexameric structure and result in the formation of stable dimers.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Biologija

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