[phenixbb] Linking C-Type Heme

Julian Esselborn julian.esselborn at rub.de
Tue May 23 12:55:50 PDT 2017

Hi list,
that might sound like a stupid question, but we are having some trouble 
getting phenix.refine acknowledging a c-type linkage of a heme. That is 
a covalent Cys SG bond to C18 or C25 in the heme.
The pdb file does contain a LINK record for this, but Ready Set seems to 
ignore that even if told to look for LINK records.
The distance in the model is actually around 1.9 Ä and automatic ligand 
linking is on and set well below that distance.
Any ideas why this might be failing and what is the smartest way to proceed?

Any ideas highly appreciated.

Thanks a lot

Julian Esselborn

Tezcan Lab
UC San Diego

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