PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/538/ligand/CHEMBL240904
PDB ID	4e5w
Variant Type	AA1006T
Ligand ID (ChEMBL ID)	CHEMBL240904
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	0.65
Binding Affinity	Conformer 1: -8.2 Kcal/Mol Conformer 2: -7.9 Kcal/Mol Conformer 3: -7.5 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -8.3 Kcal/Mol