PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/59/ligand/CHEMBL3950190
PDB ID	4twp
Variant Type	NA322K
Ligand ID (ChEMBL ID)	CHEMBL3950190
Ligand Similarity* to the one in the experimentally obtained structure of the 4twp complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.730337
Binding Affinity	Conformer 1: -9.9 Kcal/Mol Conformer 2: -9.6 Kcal/Mol Conformer 3: -9.5 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -8.8 Kcal/Mol