PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/30/ligand/CHEMBL2106612
PDB ID	4jia
Variant Type	KA912E
Ligand ID (ChEMBL ID)	CHEMBL2106612
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	0.624
Binding Affinity	Conformer 1: -8.3 Kcal/Mol Conformer 2: -8.2 Kcal/Mol Conformer 3: -7.9 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -8.4 Kcal/Mol