Generating Fragment Libraries for Metal Binding Proteins

[Anonymous]

Hi All,

I would really like to generate a fragment library from a metal binding peptide primary sequence (as in the metalloprotein_abrelax demo). I would like to generate a fragment library from a sequence like:

>1dsvA.A
PPGLC[CYZ]PRC[CYZ]KKGYH[HIS_D]WKSEC[CYZ]KSKFDKDGNPLPPZ[ZN]

Possibly using chemical shift libraries as in Wang et al. (Prediction of structures of zinc-binding proteins through explicit modeling of metal coordination geometry, 2010, Protein Science).

Thanks! and all the best,

–Buz

[Anonymous]

Hi buzb,
I don’t know if you have solved your problem, but to generate a fragments library is necessary to remove the metal and only specify the positions of residues in the chain. It worked for me.

[Author]

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