PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/533/ligand/CHEMBL2000559
PDB ID	4e5w
Variant Type	RA879C
Ligand ID (ChEMBL ID)	CHEMBL2000559
Ligand Similarity* to the one in the experimentally obtained structure of the 4e5w complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.618182
Binding Affinity	Conformer 1: -5.5 Kcal/Mol Conformer 2: -5.2 Kcal/Mol Conformer 3: -5.1 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -5.3 Kcal/Mol