Re: [ccp4bb] mutate Methionine to Norleucine in Coot.

[Garib Murshadov]

NLE is in the monomer library. However, it is marked as non-polymer. The reason why it is non-polymer is that one of the hydrogen atoms on N is called HN2 (in peptides they are H, H2 and H3).  One easy way would be replace HN2 with H and save in a cif file. Then read it in coot using “import cif dictionary" and hope that coot will recognise it as peptide. I attach nle.cif just in case Regards Garib To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1

nle.cif
Description: Binary data

On 19 Oct 2022, at 20:34, Jiang Xu <foxj...@gmail.com> wrote: Hello Guys,     I have a question regarding how to change the standard amino acid in my structure to Norleucine. It turned out that the one Methionine should be Norleucine. I tried to use the coot's mutation method but didn't find NLE(Norleucine) there. Any suggestions? Thank you, Best, Jiang Lin Chen Lab University of Southern California    To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1