AGGRESCAN3D (A3D) : server for prediction of aggregation properties of protein structures
Zambrano, Rafael (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí")
Jamroz, Michal (Uniwersytet Warszawski)
Szczasiuk, Agata (Uniwersytet Warszawski)
Pujols Pujol, Jordi (Universitat Autònoma de Barcelona. Institut de Biotecnologia i de Biomedicina "Vicent Villar Palasí")
Kmiecik, Sebastian (Uniwersytet Warszawski)
Ventura, Salvador (Universitat Autònoma de Barcelona. Departament de Bioquímica i de Biologia Molecular)

Fecha:	2015
Resumen:	Protein aggregation underlies an increasing number of disorders and constitutes a major bottleneck in the development of therapeutic proteins. Our present understanding on the molecular determinants of protein aggregation has crystalized in a series of predictive algorithms to identify aggregation-prone sites. A majority of these methods rely only on sequence. Therefore, they find difficulties to predict the aggregation properties of folded globular proteins, where aggregation-prone sites are often not contiguous in sequence or buried inside the native structure. The AGGRESCAN3D (A3D) server overcomes these limitations by taking into account the protein structure and the experimental aggregation propensity scale from the well-established AGGRESCAN method. Using the A3D server, the identified aggregation-prone residues can be virtually mutated to design variants with increased solubility, or to test the impact of pathogenic mutations. Additionally, A3D server enables to take into account the dynamic fluctuations of protein structure in solution, which may influence aggregation propensity. This is possible in A3D Dynamic Mode that exploits the CABS-flex approach for the fast simulations of flexibility of globular proteins. The A3D server can be accessed at http://biocomp. chem. uw. edu. pl/A3D/ .
Ayudas:	Ministerio de Economía y Competitividad BFU2013-44763
Nota:	Altres ajuts: ICREA Academia 2009 to S.V
Nota:	Altres ajuts: EUR/SUDOE/INTERREG IV B/SOE4-P1-E831
Derechos:	Aquest document està subjecte a una llicència d'ús Creative Commons. Es permet la reproducció total o parcial, la distribució, la comunicació pública de l'obra i la creació d'obres derivades, sempre que no sigui amb finalitats comercials, i sempre que es reconegui l'autoria de l'obra original.
Lengua:	Anglès
Documento:	Article ; recerca ; Versió publicada
Publicado en:	Nucleic acids research, Vol. 43 (2015) , Web Server issue W306-W313, ISSN 1362-4962

DOI: 10.1093/nar/gkv359
PMID: 25883144

8 p, 1.5 MB

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