PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/575/ligand/CHEMBL3989433
PDB ID	3fv1
Variant Type	AA500S
Ligand ID (ChEMBL ID)	CHEMBL3989433
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	0.625
Binding Affinity	Conformer 1: -1.6 Kcal/Mol Conformer 2: -1.5 Kcal/Mol Conformer 3: -1.4 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -1.5 Kcal/Mol