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Abstract: Environment specific substitution tables have been used effectively fordistinguishing structural and functional constraints on proteins and therebyidentify their active sites Chelliah et al. 2004. This work exploreswhether a similar approach can be used to identify specificity determiningresidues SDRs responsible for cofactor dependence, substrate specificity orsubtle catalytic variations. We combine structure-sequence information andfunctional annotation from various data sources to create structural alignmentsfor homologous enzymes and functional partitions therein. We develop a scoringprocedure to predict SDRs and assess their accuracy using information frombound specific ligands and published literature.



Autor: Swanand Gore, Tom Blundell

Fuente: https://arxiv.org/







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