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dc.contributor.authorRomano, Valentina
dc.contributor.authorRaimondo, Domenico
dc.contributor.authorCalvanese, Luisa
dc.contributor.authorD’Auria, Gabriella
dc.contributor.authorTramontano, Anna
dc.contributor.authorFalcigno, Lucia
dc.date.accessioned2016-02-28T06:34:55Z
dc.date.available2016-02-28T06:34:55Z
dc.date.issued2012-02-22
dc.identifier.citationRomano V, Raimondo D, Calvanese L, D’Auria G, Tramontano A, et al. (2012) Toward a better understanding of the interaction between TGF-β family members and their ALK receptors. J Mol Model 18: 3617–3625. Available: http://dx.doi.org/10.1007/s00894-012-1370-y.
dc.identifier.issn1610-2940
dc.identifier.issn0948-5023
dc.identifier.pmid22354277
dc.identifier.doi10.1007/s00894-012-1370-y
dc.identifier.urihttp://hdl.handle.net/10754/600043
dc.description.abstractTransforming growth factor-beta (TGF-β) proteins are a family of structurally related extracellular proteins that trigger their signaling functions through interaction with the extracellular domains of their cognate serine/threonine kinase receptors. The specificity of TGF-β/receptor binding is complex and gives rise to multiple functional roles. Additionally, it is not completely understood at the atomic level. Here, we use the most reliable computational methods currently available to study systems involving activin-like kinase (ALK) receptors ALK4 and ALK7 and their multiple TGF-β ligands. We built models for all these proteins and their complexes for which experimental structures are not available. By analyzing the surfaces of interaction in six different TGF-β/ALK complexes we could infer which are the structural distinctive features of the ligand-receptor binding mode. Furthermore, this study allowed us to rationalize why binding of the growth factors GDF3 and Nodal to the ALK4 receptor requires the Cripto co-factor, whilst binding to the ALK7 receptor does not. © Springer-Verlag 2012.
dc.description.sponsorshipKing Abdullah University of Science and Technology (KAUST; Award No. KUK-I1-012-43); Fondazione Roma and the Italian Ministry of Health (contract no. onc_ord 25/07, FIRB ITAL-BIONET and PROTEOMICA).Ministero dell'Universita e della Ricerca Scientifica (MIUR), project PRIN no prot. 2008F5A3AF_001.
dc.publisherSpringer Nature
dc.subjectALK receptor
dc.subjectComparative modeling
dc.subjectProtein-protein docking
dc.subjectTGF-β protein
dc.titleToward a better understanding of the interaction between TGF-β family members and their ALK receptors
dc.typeArticle
dc.identifier.journalJournal of Molecular Modeling
dc.contributor.institutionUniversita degli Studi di Napoli Federico II, Naples, Italy
dc.contributor.institutionUniversita degli Studi di Roma La Sapienza, Rome, Italy
dc.contributor.institutionConsiglio Nazionale delle Ricerche, Rome, Italy
kaust.grant.numberKUK-I1-012-43


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