PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/686/ligand/CHEMBL3326320
PDB ID	4j21
Variant Type	GA1058S
Ligand ID (ChEMBL ID)	CHEMBL3326320
Ligand Similarity* to the one in the experimentally obtained structure of the 4j21 complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.63964
Binding Affinity	Conformer 1: -9.2 Kcal/Mol Conformer 2: -9.2 Kcal/Mol Conformer 3: -8.8 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -7.4 Kcal/Mol