PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/598/ligand/CHEMBL453187
PDB ID	3fv1
Variant Type	MA676I
Ligand ID (ChEMBL ID)	CHEMBL453187
Ligand Similarity* to the one in the experimentally obtained structure of the 3fv1 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.606061
Binding Affinity	Conformer 1: -4.7 Kcal/Mol Conformer 2: -4.5 Kcal/Mol Conformer 3: -4.3 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -6.0 Kcal/Mol