LigASite--a database of biologically relevant binding sites in proteins with known apo-structures.

ABSTRACT: Better characterization of binding sites in proteins and the ability to accurately predict their location and energetic properties are major challenges which, if addressed, would have many valuable practical applications. Unfortunately, reliable benchmark datasets of binding sites in proteins are still sorely lacking. Here, we present LigASite ('LIGand Attachment SITE'), a gold-standard dataset of binding sites in 550 proteins of known structures. LigASite consists exclusively of biologically relevant binding sites in proteins for which at least one apo- and one holo-structure are available. In defining the binding sites for each protein, information from all holo-structures is combined, considering in each case the quaternary structure defined by the PQS server. LigASite is built using si

SUBMITTER: Dessailly BH 

PROVIDER: S-EPMC2238865 | biostudies-literature | 2008 Jan

REPOSITORIES: biostudies-literature