PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/525/ligand/CHEMBL61662
PDB ID	2hb1
Variant Type	AA217T
Ligand ID (ChEMBL ID)	CHEMBL61662
Ligand Similarity* to the one in the experimentally obtained structure of the 2hb1 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.641304
Binding Affinity	Conformer 1: -5.2 Kcal/Mol Conformer 2: -4.8 Kcal/Mol Conformer 3: -4.8 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -6.1 Kcal/Mol