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dc.contributor.author
Geppert, Tim
dc.contributor.author
Hoy, Benjamin
dc.contributor.author
Wessler, Silja
dc.contributor.author
Schneider, Gisbert
dc.date.accessioned
2020-12-19T10:45:24Z
dc.date.available
2017-06-09T10:57:02Z
dc.date.available
2020-12-19T10:45:24Z
dc.date.issued
2011-03-25
dc.identifier.issn
1074-5521
dc.identifier.issn
1879-1301
dc.identifier.other
10.1016/j.chembiol.2011.01.005
en_US
dc.identifier.uri
http://hdl.handle.net/20.500.11850/34578
dc.description.abstract
Reliable determination of protein-protein interaction sites is of critical importance for structure-based design of small molecules modulating protein function through macromolecular interfaces. We present an alignment-free computational method for prediction of protein-protein interface residues. The method (“iPred”) is based on a knowledge-based scoring function adapted from the field of protein folding and small molecule docking. Based on a training set of 394 hetero-dimeric proteins iPred achieves sustained accuracy on an external unbound test set. Prediction robustness was assessed from more than 1500 diverse complexes containing homo- and hetero-dimers. The technique does not rely on sequence conservation, so that rapid interface identification is possible even for proteins for which homologs are unknown or lack conserved residue patterns in interface region. Functional “hot-spot” residues are enriched among the predicted interface residues, rendering the method predestined for macromolecular binding site identification and drug design studies aiming at modulating protein-protein interaction that might influence protein function. For a comparative structural model of peptidase HtrA from Helicobacter pylori, we performed mutation studies for predicted hot-spot residues, which were confirmed as functionally relevant for HtrA activity or oligomerization.
en_US
dc.language.iso
en
en_US
dc.publisher
Cell Press
en_US
dc.title
Context-Based Identification of Protein-Protein Interfaces and “Hot-Spot” Residues
en_US
dc.type
Journal Article
dc.date.published
2011-03-24
ethz.journal.title
Chemistry & Biology
ethz.journal.volume
18
en_US
ethz.journal.issue
3
en_US
ethz.pages.start
344
en_US
ethz.pages.end
353
en_US
ethz.identifier.wos
ethz.identifier.nebis
001466139
ethz.publication.place
Cambridge, MA
en_US
ethz.publication.status
published
en_US
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02534 - Institut für Pharmazeutische Wiss. / Institute of Pharmaceutical Sciences::03852 - Schneider, Gisbert / Schneider, Gisbert
en_US
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02534 - Institut für Pharmazeutische Wiss. / Institute of Pharmaceutical Sciences::03852 - Schneider, Gisbert / Schneider, Gisbert
ethz.date.deposited
2017-06-09T10:57:22Z
ethz.source
ECIT
ethz.identifier.importid
imp59364e01a626560529
ethz.ecitpid
pub:55686
ethz.eth
yes
en_US
ethz.availability
Metadata only
en_US
ethz.rosetta.installDate
2017-07-13T06:35:34Z
ethz.rosetta.lastUpdated
2021-02-15T22:43:09Z
ethz.rosetta.versionExported
true
ethz.COinS
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