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Molecular Dynamics Simulations of the Elusive Matrix‐open State of Mitochondrial ADP/ATP Carrier


Škulj, Sanja; Brkljača, Zlatko; Vazdar, Mario
Molecular Dynamics Simulations of the Elusive Matrix‐open State of Mitochondrial ADP/ATP Carrier // Israel journal of chemistry (2020) doi:10.1002/ijch.202000011 (znanstveni, prihvaćen)


Naslov
Molecular Dynamics Simulations of the Elusive Matrix‐open State of Mitochondrial ADP/ATP Carrier

Autori
Škulj, Sanja ; Brkljača, Zlatko ; Vazdar, Mario

Vrsta, podvrsta
Radovi u časopisima, znanstveni

Izvornik
Israel journal of chemistry (2020)

Status rada
Prihvaćen

Ključne riječi
ADT/ATP carrier ; MD simulation ; c-state ; m-state

Sažetak
We studied and compared in detail two published crystallographic structures of ADP/ATP carrier (AAC) protein in matrix open (m-state) and cytoplasmic open (c-state) state with and without cardiolipin (CDL) molecules embedded in the DOPC bilayer. We simulated and analyzed both states and obtained results show that both states are stable and water impermeable. In comparison with c-state, m-state is more occluded and has longer water impermeable area. Protein in both states, especially in the m- state, is more similar to crystallographic structure and less flexible in simulations when CDL molecules are present. This stabilization of m-state with CDL molecules sheds new light on AAC protein stability, representing a crucial factor for this structure which is significantly less stable compared with c- state.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA


Projekt / tema
HRZZ-UIP-2014-09-6090 - Molekularni aspekti oksidativnih procesa u stanicama (Mario Vazdar, )

Ustanove
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Mario Vazdar (autor)

Avatar Url Sanja Škulj (autor)

Avatar Url Zlatko Brkljača (autor)

Citiraj ovu publikaciju

Škulj, Sanja; Brkljača, Zlatko; Vazdar, Mario
Molecular Dynamics Simulations of the Elusive Matrix‐open State of Mitochondrial ADP/ATP Carrier // Israel journal of chemistry (2020) doi:10.1002/ijch.202000011 (znanstveni, prihvaćen)
Škulj, S., Brkljača, Z. & Vazdar, M. (2020) Molecular Dynamics Simulations of the Elusive Matrix‐open State of Mitochondrial ADP/ATP Carrier. Prihvaćen za objavljivanje u Israel journal of chemistry. [Preprint] doi:10.1002/ijch.202000011.
@unknown{unknown, year = {2020}, DOI = {10.1002/ijch.202000011}, keywords = {ADT/ATP carrier, MD simulation, c-state, m-state}, journal = {Israel journal of chemistry}, doi = {10.1002/ijch.202000011}, title = {Molecular Dynamics Simulations of the Elusive Matrix‐open State of Mitochondrial ADP/ATP Carrier}, keyword = {ADT/ATP carrier, MD simulation, c-state, m-state} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


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