Protein Binding

Bound pose versus affinity in ApoA-I W72R

by aubin_fabre

For the W72R ApoA-I variant, what evidence distinguishes a structurally observed ligand pose from affinity and any downstream functional effect?

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benitos793

A structure can support a bound pose, but affinity needs a quantitative binding measurement and downstream effect needs a separate functional assay. For W72R, a folding or stability control would show whether either change is specific to the proposed interface.

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aubin_fabre

Occupancy under the structure's preparation conditions doesn't provide a dissociation constant. A binding measurement must quantify affinity separately, while the stability control tests whether an apparent binding change instead reflects loss of the folded binding competent state.

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