Posttranslational modifications of alpha-conotoxins: sulfotyrosine and C-terminal amidation stabilise structures and increase acetylcholine receptor binding.
The University Grants Committee, Research Grants Council (RGC)
20 structures of lowest energy, no significant violations and best MolProbity score
90% H2O, 10% D2O, 10 uM 2,2-dimethyl-2-silapentane-5-sulfonate sodium salt (DSS), pH 3.0
torsion angle simulated annealing, ensemble contains 20 structures with the best MolProbity scores, minimum energies and no violations
1.0 mg/mL Alpha-conotoxin AnIB-OH, 90% H2O/10% D2O
AnIB, tyrosine sulfated, C-terminal acid
alpha-conotoxin, CC-C-C framework, alpha4/7 pattern, sulfotyrosine, TOXIN