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Important residues mediating the interaction are indicated in the insets.
Berezin, C. et al. CONSEQ: the identification of functionally and structurally important residues in protein sequences.
Capra, J. A. & Singh, M. Predicting functionally important residues from sequence conservation.
The most important residues forming either hydrogen bonds or salt bridges with PvRBP2b are indicated below with black arrows.
Site-directed mutagenesis has enabled important residues for catalysis and RNA binding to be identified.
Structural comparison and sequence alignment reveal five important residues: three basic residues specifically recognizing PPi and two large hydrophobic residues occluding a part of the ATP-binding pocket.
However, our above analysis indicates that Gd@C82(OH)22 can have specific interactions with the WW domain, especially the important residues for the PRM binding.
The structural information allowed us to characterise the active site of the enzyme and identify the catalytically important residues.
The design involved incorporating important residues from polyphemusin II into a macrocyclic template-bound β-hairpin mimetic.
Hit compounds that scored high GOLD fitness scores and showed interactions with catalytically important residues and metal ions were considered.
As affirmed by multiple sequence alignments, most of the functionally important residues were well conserved in RfCat.
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