PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/37/ligand/CHEMBL3945458
PDB ID	4twp
Variant Type	KA247R
Ligand ID (ChEMBL ID)	CHEMBL3945458
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	0.632911
Binding Affinity	Conformer 1: -1.1 Kcal/Mol Conformer 2: -0.9 Kcal/Mol Conformer 3: -0.9 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -1.0 Kcal/Mol