Hi Karthik, There are currently three epimers of inositol hexaphosphate in the PDB: I6P (one axial), IHP (the same, which shouldn't be allowed), KGN (two axial, next to each other). I could not find other configurations. Which restraint file for COOT/CCP4 are you referring to? It might need fixing.
Cheers, Robbie > -----Original Message----- > From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of Karthik > Selvam > Sent: Wednesday, March 20, 2019 11:34 > To: CCP4BB@JISCMAIL.AC.UK > Subject: [ccp4bb] Configuration of inositol hexaphosphate > > 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. > > > https://drive.google.com/open?id=13D5j2u_0OxP_X25B_kjKShtV7GQQTwBd > > > https://drive.google.com/open?id=1xYc- > PJ6jBi8UowsYb9MCZ7QEVW6m30KR > > ________________________________ > > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
