PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/58/ligand/CHEMBL3965452
PDB ID	4twp
Variant Type	NA322D
Ligand ID (ChEMBL ID)	CHEMBL3965452
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	0.822368
Binding Affinity	Conformer 1: -9.9 Kcal/Mol Conformer 2: -9.2 Kcal/Mol Conformer 3: -9.1 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -8.6 Kcal/Mol