Solution Structure of Prosurvival Mcl-1 and Characterization of Its Binding by Proapoptotic BH3-only Ligands
GPLGSEDDLYRQSLEIISRYLREQATGSKDSKPLGEAGAAGRRALETLRRVGDGVQRNHETAFQGMLRKLDIKNEGDVKS FSRVMVHVFKDGVTNWGRIVTLISFGAFVAKHLKSVNQESFIEPLAETITDVLVRTKRDWLVKQRGWDGFVEFFHVQDLE GG
the structure was determined using standard 3D heteronuclar NMR techniques.
structures with the lowest energy, structures with the least restraint violations, structures with acceptable covalent geometry
The structures are based on a total of 3974 constaints, 3507 are NOE-derived distance constraints, 335 dihedral angle restraints and 66 hydrogen bond constraints
torsion angle dynamics, distance geometry, simulated annealing
50mM Sodium Phoshate; 70mM Sodium Chloride; 0.04% Sodium Azide; 95% H2O, 5% D2O
Bartels, C., Xia, T.H., Billeter, M., Guntert, P., and Wuthrich, K.
Guntert, P., Mumenthaler, C., Wuthrich, K.
helical bundle, apoptosis, Bcl-2, BH3, Mcl-1
EDDLYRQSLEIISRYLREQATGSKDSKPLGEAGAAGRRALETLRRVGDGVQRNHETAFQGMLRKLDIKNEGDVKSFSRVM VHVFKDGVTNWGRIVTLISFGAFVAKHLKSVNQESFIEPLAETITDVLVRTKRDWLVKQRGWDGFVEFFHVQDLEGG