CRYSTAL STRUCTURE Kd SERVER        PDB to free energy

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IF YOU HAVE NON-STANDARD LIGANDS (other than RNA, DNA, ATP etc),
IT IS SUGGESTED THAT YOU RENAME LIGAND ATOMS AS FOLLOWS



aliphaticCAO minus as in phosphateO2P
C aromaticCZ2N unchargedN
N (+1) as in LysNZO minus (pH-dep) CarboxyOXT
OH as in Ser (pH-dep)OHPositive ion +1K
O Carbonyl as in peptide backboneOPositive ion +2MG
SH as in Cys (pH-dep)SGOrganic ChlorineCL
SMe sulfur as in MetSDOrganic BromineBR
Posphorus neutralPOrganic IodineI
O neutral as in phosphateO1POrganic FluorineF

 

 
   
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