PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/166/ligand/CHEMBL1617572
PDB ID	2weg
Variant Type	HA122Y
Ligand ID (ChEMBL ID)	CHEMBL1617572
Ligand Similarity* to the one in the experimentally obtained structure of the 2weg complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.62069
Binding Affinity	Conformer 1: -5.4 Kcal/Mol Conformer 2: -5.4 Kcal/Mol Conformer 3: -5.3 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -6.1 Kcal/Mol