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Since O2 binds in a bent conformation, the bent form of CO would have lower binding affinity relative to O2, potentially be one way to discriminate against CO binding.
Notably, in about half of these cases, our algorithm correctly captures these preferences, indicating that it can predict mutations that increase binding affinity relative to the starting structure.
This represents a greater than 50-fold reduction in binding affinity relative to the parent phosphotyrosine-containing peptide, indicating that the aryl nitrogen adversely affects binding affinity.
The method is applicable to a group of proteins that co-precipitate and, hence, exhibit a high binding affinity relative to transient interactions such as with enzymes.
Thus introducing an alanine or methionine residue at position −4 of the Ssa1 decapeptide should increase the binding affinity relative to a decapeptide containing a valine residue at this position.
However, we also note that the NH group within the ring of 21, which replaces the endocyclic oxygen of GlcNAc, forms a hydrogen bond with the side-chain of Asp249, which likely confers the increased binding affinity relative to GlcNAc.
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Competitive assays demonstrated the EDCs' binding affinities relative to 17β-estradiol, which ranged from very similar to 50,000-fold lower values.
Thus, it should be possible to analyze the sequence information of all possible isoforms to obtain their homophilic binding affinities relative to heterophilic binding, which would be a time and resource-consuming task if performed using experimental approaches.
We set out to investigate as to whether the recently generated isoforms (by exon duplication) display enhanced self-binding affinities relative to the ancient isoforms (Additional file 2: Table S3).
These structures provided a qualitative explanation for the differences in observed binding affinities (relative binding affinities: hydan > NH2-hydan > methyl-hydan ≫ α-D-glucose (Bichard et al. 1995; Watson et al. 2005)).
Analogs were administered at doses chosen to reflect their binding affinity to KISS1R relative to KP-10 itself, as determined in initial receptor binding studies [dose in nmol = (analog IC50/KP-10 IC50/KP-10 IC50
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binding AdoHcy relative to
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binding affinity comparable to
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