Crystallographic characterization of functional sites of crotoxin and ammodytoxin, potent β-neurotoxins from Viperidae venom

► Conformational analysis of ammodytoxin and crotoxin crystal structures. ► Impact of structural differences on anticoagulant and neurotoxic function of two isoforms of ammodytoxin. ► Identification of key residues involved in the stability and toxicity of crotoxin complexes. ► Identification of CA residues involved in inhibition of the catalytic and anticoagulant activity of CB.