PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/233/ligand/CHEMBL4081771
PDB ID	4crc
Variant Type	PA225S
Ligand ID (ChEMBL ID)	CHEMBL4081771
Ligand Similarity* to the one in the experimentally obtained structure of the 4crc complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.66
Binding Affinity	Conformer 1: -5.7 Kcal/Mol Conformer 2: -5.2 Kcal/Mol Conformer 3: -4.9 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -4.9 Kcal/Mol