title: Dimerization model of the C-terminal RNA Recognition Motif of HuR.
abstract: Human antigen R (HuR) is a ubiquitous 32 kDa protein comprising three RNA Recognition Motifs (RRMs), whose main function is to bind Adenylate and uridylate Rich Elements (AREs) in 3' UnTranslated Regions (UTRs) of mRNAs. In addition to binding RNA molecules, the third domain (RRM3) is involved in HuR oligomerization and apoptotic signaling. The RRM3 monomer is able to dimerize, with its self-binding affinity being dependent on ionic strength. Here we provide a deeper structural insight into the nature of the encounter complexes leading to the formation of RRM3 dimers by using Brownian Dynamics and Molecular Dynamics. Our computational data show that the initial unspecific encounter follows a downhill pathway until reaching an optimum conformation stabilized by hydrophobic interactions.
authors.affiliation: Instituto de Bioquímica Vegetal y Fotosíntesis, cicCartuja, Universidad de Sevilla - CSIC, Avda. Américo Vespucio 49, Sevilla 41092, Spain. Electronic address: qzaida@us.es.
authors.forename: Antonio
authors.initials: A
authors.lastname: Díaz-Quintana
authors.affiliation: Instituto de Bioquímica Vegetal y Fotosíntesis, cicCartuja, Universidad de Sevilla - CSIC, Avda. Américo Vespucio 49, Sevilla 41092, Spain.
authors.forename: Sofía M
authors.initials: SM
authors.lastname: García-Mauriño
authors.affiliation: Instituto de Bioquímica Vegetal y Fotosíntesis, cicCartuja, Universidad de Sevilla - CSIC, Avda. Américo Vespucio 49, Sevilla 41092, Spain.
authors.forename: Irene
authors.initials: I
authors.lastname: Díaz-Moreno
mesh_terms: D020413:3' Untranslated Regions / Q000502:physiology; D020816:Amino Acid Motifs; D051959:ELAV Proteins / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D000067780:ELAV-Like Protein 1; D006801:Humans; D057927:Hydrophobic and Hydrophilic Interactions; D056004:Molecular Dynamics Simulation; D055503:Protein Multimerization; D017434:Protein Structure, Tertiary
chemical_list: D020413:3' Untranslated Regions; D051959:ELAV Proteins; D000067780:ELAV-Like Protein 1; C098770:ELAVL1 protein, human
keywords: Brownian Dynamics (BD); Dimerization; Human antigen R (HuR); Molecular Dynamics (MD); RNA Binding Protein (RBP); RNA Recognition Motif (RRM)