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Topic 2. Adam Godzik. JCSG approach: no model archives, building models “on the fly”. Modeling used in target selection with MR component. Sequence of a potential target : >MELGIRDKGVLVAASRGIGRAVADVLSQEGAEVTICCARM. Potential MR target. >30% Seq id to a known structure. Not a PSI
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Topic 2 Adam Godzik
JCSG approach: no model archives, building models “on the fly”
Modeling used in target selection with MR component Sequence of a potential target : >MELGIRDKGVLVAASRGIGRAVADVLSQEGAEVTICCARM Potential MR target >30% Seq id to a known structure Not a PSI target no yes good Fold can be predicted What is the Quality of the model no SelMet expression bad
In development • Models for construct design • Tested for SARS targets • “computational DXMS” • Models for planning of point mutations • Testing on several difficult targets
What is real impact of PSI - are new folds most important ? • TM0875 from t.maritima • new fold • no homologs – an “orphan” • no corresponding Pfam family • 53686717 from n.punctiforme • two domains of known folds but no recognizable sequence similarity to known structures • C-terminal domain provides the first structural template for Pfam family of over 500 sequences (PF00877)