PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/228/ligand/CHEMBL400658
PDB ID	4crc
Variant Type	GA216D
Ligand ID (ChEMBL ID)	CHEMBL400658
Ligand Similarity* to the one in the experimentally obtained structure of the 4crc complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.638298
Binding Affinity	Conformer 1: -7.2 Kcal/Mol Conformer 2: -7.2 Kcal/Mol Conformer 3: -6.9 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -8.4 Kcal/Mol