PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/558/ligand/CHEMBL1729254
PDB ID	3u9q
Variant Type	VA322I
Ligand ID (ChEMBL ID)	CHEMBL1729254
Ligand Similarity* to the one in the experimentally obtained structure of the 3u9q complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.813725
Binding Affinity	Conformer 1: -7.8 Kcal/Mol Conformer 2: -7.7 Kcal/Mol Conformer 3: -7.2 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -8.3 Kcal/Mol