Dear all, I just want to replace the SER with a modified amino acid residue. Say for example, SEP (Phosphoserine, O-phospho-l-serine). I downloaded the SEP coordinates from another PDB entry. Used rotate/translate molecule to moved it appropriate location. Replaced in my PDB file the D581 - SER to SEP.
HETATM 33 N SEP D 581 97.908 326.363 49.364 1.00 84.94 N HETATM 34 CA SEP D 581 96.826 325.614 48.708 1.00 71.90 C HETATM 35 CB SEP D 581 96.651 326.052 47.245 1.00 73.88 C HETATM 36 OG SEP D 581 97.826 325.814 46.490 1.00 74.91 O HETATM 37 C SEP D 581 96.981 324.088 48.783 1.00 60.12 C HETATM 38 O SEP D 581 95.988 323.353 48.792 1.00 49.20 O HETATM 39 P SEP D 581 97.506 325.702 44.914 1.00165.09 P HETATM 40 O1P SEP D 581 97.112 327.156 44.331 1.00 62.98 O HETATM 41 O2P SEP D 581 96.235 324.745 44.703 1.00 95.15 O HETATM 42 O3P SEP D 581 98.792 325.012 44.211 1.00 55.10 O If I do - regularise the PDB SEP is kicked out of the density. Since SEP 'is inside CCP4 monomer library' I assumed it will regularise - but it is kicked out. Why? Actually I need a different 'new modified aa' but I am trying to use SEP as a template. Is there anything wrong? What is the proper procedure? Many thanks Markus ######################################################################## To unsubscribe from the COOT list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=COOT&A=1
