PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/32/ligand/CHEMBL2057749
PDB ID	4jia
Variant Type	GA935R
Ligand ID (ChEMBL ID)	CHEMBL2057749
Ligand Similarity* to the one in the experimentally obtained structure of the 4jia complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.614173
Binding Affinity	Conformer 1: -12.2 Kcal/Mol Conformer 2: -11.7 Kcal/Mol Conformer 3: -10.9 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -10.5 Kcal/Mol