Don't know if I read about this before, but reading modelling, I would create a link dictionary with jligand and use that in refmac and coot.
Cheers Christian Jonathan Davies <jd...@bath.ac.uk> schrieb am Di., 17. Apr. 2018, 19:03: > Dear CCP4BB, > > I've recently solved a structure to 1.15 Angstrom which has extremely > clear density for what appears to be a lysine covalently bound to a > cysteine (S-N). The distance between the cys-S and lys-N is 1.8 A. I > thought initially that there may be a methyl group between the two (based > on this paper http://doi.org/10.1002/pro.2958) but there definitely isn't > enough space. > > Some more info: > The protein was purified from recombinant E. coli expression, standard > buffers (Tris, NaCl). > Crystallisation condition contains sodium acetate and PEG. > The residues in question are not part of an active-site. > > I have two questions: > > Has anyone seen a cys that is involved in a sulfanamide bond with a lys? > > How would one go about modeling this bond in a way that doesn't upset > coot, refmac or PDB validation? > > Thanks in advance! > Jonathan >
