Dear CCP4 community,
We are working on a complex involving inositol hexaphoshpate. The structure of the ligand given in the coot monomer library has alternate phosphate groups attached to the ring carbon atoms at the equatorial configuration and axial configuration. We also examined the structure of the ligand in PDB IDs 2fvv, 2q9p, 1dkp, and 1bq3. They have different configurations. All of which are again different from that given in the coot library. We shall be grateful if the community could enlighten on this issue.
Regards,
Karthik &
Prateek Raj.