PSnpBind - Pocket SNPs effect on protein-ligand binding affinity

GUID	https://w3id.org/psnpbind/variant/649/ligand/CHEMBL548072
PDB ID	3udh
Variant Type	TA33I
Ligand ID (ChEMBL ID)	CHEMBL548072
Ligand Similarity* to the one in the experimentally obtained structure of the 3udh complex * Tanimoto similarity obtained from the comparison of the FP2 fingerprint of the ligands, calculated using OpenBabel	0.655556
Binding Affinity	Conformer 1: -9.4 Kcal/Mol Conformer 2: -9.3 Kcal/Mol Conformer 3: -9.2 Kcal/Mol
Binding Affiniy against the Wild-type protein
WT	Conformer 1: -9.0 Kcal/Mol