Structural analysis of the lactoferrin iron binding pockets

• Autorzy: Marchewka D. , Roterman I. , Strus M. , Śpiewak K. , Majka G.
• Języki publikacji: EN

Abstrakty

EN

Lactoferrin (Lf) - member of the transferrin family of proteins responsible for many different functions in the body of mammals participates in regulation of free iron level in the body fluids making the protein bacteriostatic. The main goal of studies was to test the suitability of molecular dynamic simulation to study structural changes in the tertiary structure of lactoferrin. According to ConSurf Server analysis one of the most conservative amino acids was found not only in iron- but also in carbohydrates- binding pockets which may suggest a significant impact of carbohydrates on the functions performed by lactoferrin. Pocket-Finder program applied to find iron-binding pockets revealed the potential Fe binding area. The stability of the ligand deprived protein was verified performing the 50 ns dynamic simulation using the Gromacs program. The tertiary structure changes during the simulation were observed in N-lob solely. No structural changes were observed in C-lob iron-binding pocket.

Słowa kluczowe

EN

ligand binding site in proteins; lactoferrin; molecular dynamic simulation

• Wydawca: Uniwersytet Jagielloński - Collegium Medicum ; Index Copernicus Sp. z o.o.
• Czasopismo: Bio-Algorithms and Med-Systems
• Rocznik: 2012
• Tom: Vol. 8, no. 4
• Strony: 351--359
• Opis fizyczny: Bibliogr. 8 poz., rys., tab.

Twórcy

autor

Marchewka D.

• Department of Bioinformatics and Telemedicine, Jagiellonian University – Medical College, Lazarza 16, 31-530 Krakow
• Faculty of Physics, Astronomy and Applied Computer Science – Jagiellonian University, Reymonta 4, 30-059 Krakow

autor

Roterman I.

• Department of Bioinformatics and Telemedicine, Jagiellonian University – Medical College, Lazarza 16, 31-530 Krakow

autor

Strus M.

• Chair of Microbiology, Jagiellonian University – Medical College, Czysta 18, 31-121 Krakow

autor

Śpiewak K.

• Chair of Microbiology, Jagiellonian University – Medical College, Czysta 18, 31-121 Krakow

autor

Majka G.

• Chair of Microbiology, Jagiellonian University – Medical College, Czysta 18, 31-121 Krakow

Bibliografia

• 1. Baker H, Baker E. (2009) A structural framework for understanding the multifunctional character of lactoferrin. Biochimie, 91, 3-10
• 2. RCSB PDB, www.rcsb.org
• 3. The ConSurf Server, www.consurf.tau.ac.il
• 4. The Pairwise DaliLite Server, http://ekhidna.biocenter.helsinki.fi
• 5. GROMACSS, www.gromacs.org
• 6. The Pocket-Finder Server, www.modelling.leeds.ac.uk
• 7. Baker H, Baker E. (2004) Lactoferrin and iron: structural and dynamic aspects of binding and release. Biometals, 17, 209-216.
• 8. Baker H, Baker E. (2005) Molecular structure, binding properties and dynamics of lactoferrin. Cellular and molecular life sciences CMLS, 62, 2531-9.