pocketZebra: a web-server for automated selection and classification of subfamily-specific binding sites by bioinformatic analysis of diverse protein families.
The new web-server pocketZebra implements the power of bioinformatics and geometry-based structural approaches to identify and rank subfamily-specific binding sites in proteins by functional significance, and select particular positions in the structure that determine selective accommodation of ligands. A new scoring function has been developed to annotate binding sites by the presence of the subfamily-specific positions in diverse protein families. pocketZebra web-server has multiple input modes to meet the needs of users with different experience in bioinformatics. The server provides on-site visualization of the results as well as off-line version of the output in annotated text format and as PyMol sessions ready for structural analysis. pocketZebra can be used to study structure-function relationship and regulation in large protein superfamilies, classify functionally important binding sites and annotate proteins with unknown function. The server can be used to engineer ligand-binding sites and allosteric regulation of enzymes, or implemented in a drug discovery process to search for potential molecular targets and novel selective inhibitors/effectors. The server, documentation and examples are freely available at http://biokinet.belozersky.msu.ru/pocketzebra and there are no login requirements.
Lomonosov Moscow State University, Belozersky Institute of Physicochemical Biology and Faculty of Bioengineering and Bioinformatics, Vorobjev hills 1-73, Moscow 119991, Russia.
Dmitry
D
Suplatov
Lomonosov Moscow State University, Belozersky Institute of Physicochemical Biology and Faculty of Bioengineering and Bioinformatics, Vorobjev hills 1-73, Moscow 119991, Russia.
Eugeny
E
Kirilin
Lomonosov Moscow State University, Belozersky Institute of Physicochemical Biology and Faculty of Bioengineering and Bioinformatics, Vorobjev hills 1-73, Moscow 119991, Russia.
Mikhail
M
Arbatsky
Lomonosov Moscow State University, Belozersky Institute of Physicochemical Biology and Faculty of Bioengineering and Bioinformatics, Vorobjev hills 1-73, Moscow 119991, Russia.
Vakil
V
Takhaveev
Lomonosov Moscow State University, Belozersky Institute of Physicochemical Biology and Faculty of Bioengineering and Bioinformatics, Vorobjev hills 1-73, Moscow 119991, Russia vytas@belozersky.msu.ru.
Vytas
V
Svedas
D000465:Algorithms; D001665:Binding Sites; D019295:Computational Biology; D020407:Internet; D008024:Ligands; D011506:Proteins / Q000737:chemistry / Q000145:classification / Q000378:metabolism*; D016415:Sequence Alignment; D012984:Software
D008024:Ligands; D011506:Proteins