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Recent Articles

Comparative Study of Surface Chemical Composition and Oxide Layer Modification upon Oxygen Plasma Cleaning and Piranha Etching on a Novel Low Elastic Modulus Ti25Nb21Hf Alloy

Virginia Paredes, Emiliano Salvagni, Enrique Rodríguez-Castellón and José María Manero

Determination of formaldehyde content in leather: EN ISO 17226 standard. Influence of the agitation method used in the initial phase of formaldehyde extraction

Manich A.M., Cuadros S., Font J., Bacardit A., Combalia F., Marsal, A.

PhD Thesis Presentation

Insight into the structure and function of engineered biocatalysts: Serine hydroxymethyltransferase from Streptococcus thermophilus and Halohydrine dehalogenase D2 from Gammaproteobacterium

Giovanna Petrillo

Departament de Química Biològica i Modelització Molecular

Lloc Sala d'actes del CID
Dia Dimecres 28 de juny del 2017

The rapid progress in structural and molecular biology over the past fifteen years has allowed chemists to access the structures of enzymes, of their complexes and of engineered variants. This wealth of structural information has led to a surge in the interest in enzymes as elegant chemical catalysts of industrial application.
The study of structure-function of enzymes is central for designing active-site-directed mutations that expand the catalytic repertoire of enzymes properties.
In this study, the structure of two enzymes interesting for different biocatalytic applications was determined in order to shed light on their catalytic reaction mechanism and guide protein engineering experiments.
The crystal structure of a novel serine hydroxymethyltransferase from Streptococcus thermophilus (SHMT) at 2.2 Å resolution, in the unliganded form and in complex with glycine and L-threonine was determined. Furthermore, two active-site variants have been functionally characterized in complex with natural and non-natural substrates. No active site catalytic residues were revealed, and a structural water molecule was assumed to act as catalytic base in the retro-aldol cleavage reaction. Moreover the X-ray analysis of the variants complexes explains the molecular bases of their enhanced activity and broad substrate tolerance.
Halohydrin dehalogenase D2 from Gammaproteobacterium was also studied and its structure was solved at 1.6 Å resolution using a new method, Arcimboldo Shredder, that exploits fragments from distant homologs to phase macromolecular structures.
A similar structure and catalytic mechanism to previously reported protein of the same family was revealed. These results broaden the insight into the structural determinations that govern the reactivity and selectivity in the haloalcohol dehalogenase family and open the possibility to a rational re-design of them.


PhD Thesis Presentation

Engineered D-Fructose-6-phosphate aldolase (FSA) in organic synthesis: aliphatic carbonyl compounds as nucleophiles in biocatalytic aldol addition reaction

Raquel Roldán García

Departament de Química Biològica i Modelització Molecular

Lloc: Sala d’actes del CID
Dia: Divendres, 23 de juny 2017 a les 11:00h.

Recent Article

Differing specificities and isotypes of anti-citrullinated peptide/protein antibodies in palindromic rheumatism and rheumatoid arthritis

Sonia Cabrera-Villalba, María José Gomara, Juan D. Cañete, Julio Ramírez, Georgina Salvador, Virginia Ruiz-Esquide, Maria Victoria Hernández, José Inciarte-Mundo, Isabel Haro and Raimon Sanmartí

Recent article

Unraveling the Multistimuli Responses of a Complex Dynamic System of Pseudopeptidic Macrocycles


Valdivielso, A. M., Puig-Castellví, F., Atcher, J., Solà, J., Tauler, R. and Alfonso, I.


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