PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/683/ligand/CHEMBL3329835
PDB ID	4j21
Variant Type	YA1050C
Ligand ID (ChEMBL ID)	CHEMBL3329835
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	0.701923
Binding Affinity	Conformer 1: -7.2 Kcal/Mol Conformer 2: -7.1 Kcal/Mol Conformer 3: -7.1 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -8.0 Kcal/Mol