primaryodors / primarydock

PrimaryOdors.org molecular docker.
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The binding pocket of OR5K1 #274

Open electronicsbyjulie opened 1 year ago

electronicsbyjulie commented 1 year ago

It's known that L3.32 and L6.51 are involved in binding hazelnut pyrazine and important for agonism. (Citation necessary.) Pyrazines are capable of an unconventional C-H ... O hydrogen bond (citation necessary).

The lone aromatic C-H of hazelnut pyrazine might h-bond with D45.51, possibly raising the odorant's pKa. Pi stack interactions with F7.41 and E3.36 are possible, the latter perhaps having a slight ionic quality.