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Mechanism of PUMA folding upon Mcl-1 binding

Mechanism of PUMA folding upon Mcl-1 binding

Simulations inside lack of electrostatic power suggest changed residential properties the experience involved. (A-C) Probability distributions of call rates within encounter complex. Standard mistakes of data include shown. (D) get in touch with chart of opposite-charged contacts within experience intricate for simulations without electrostatic forces incorporated. All the other details are identical as simulations sang with fees (IS = 10 mM).

Debate

We used coarse-grained molecular dynamics simulations to spell it out the procedure of communications involving the natural intrinsically disordered PUMA BH3 peptide and its particular Bcl-2 mate proteins Mcl-1. All of our conclusions portray an induced healthy binding process, with PUMA being relatively disordered on changeover condition. (more…)

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