PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/682/ligand/CHEMBL67189
PDB ID	4j21
Variant Type	IA1039V
Ligand ID (ChEMBL ID)	CHEMBL67189
Ligand Similarity* to the one in the experimentally obtained structure of the 4j21 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.738636
Binding Affinity	Conformer 1: -12.9 Kcal/Mol Conformer 2: -12.3 Kcal/Mol Conformer 3: -12.2 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -11.3 Kcal/Mol