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The ATP-free enzyme revealed a novel binding site distant from the ATP binding site that was not encountered in the ATP bound enzyme.
The binding site that was considered for the VS was not the ATP site, but the allosteric site identified experimentally.
Interestingly, one LPS binding site that was uniform in human was found to be evolving under positive selection using the MEME algorithm.
We operationally refer to a binding site that was bound by a protein in 90% or more of available cell lines as a "constitutive" site.
Sequence analysis of the +1.8 kb p63 binding region revealed the presence of a 'canonical' p63 binding site that was conserved in mammals (Supporting Information Fig S7D).
For polymorphic SINEs, the binding site that was most statistically enriched (P = 1e-1283) was that previously reported to be bound by BORIS, a CTCF paralogue that binds a CTCF-like binding site (Pugacheva et al. 2010).
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A potential mechanism for this interaction is a 4-nitrophenyl binding site that is created by the loss of W261.
The respective 2β- and 2α-substituted phenyltropanes of LX10 and LX11 interacted with hydrophobic regions of the DAT S1 binding site that were inaccessible to cocaine.
Each compound has more than a million different configurations in the binding site that were considered.
Third, the structures of the binding site that were outputted according to the coordinates of the ligand are detailed.
These findings indicated the presence of specific cysteine residue(s), potentially located at the zinc binding site, that are required for FTase activity.
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