PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/576/ligand/CHEMBL3039995
PDB ID	3fv1
Variant Type	PA501L
Ligand ID (ChEMBL ID)	CHEMBL3039995
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	0.608696
Binding Affinity	Conformer 1: -5.3 Kcal/Mol Conformer 2: -5.3 Kcal/Mol Conformer 3: -5.2 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -5.7 Kcal/Mol