Ligand name: Atorvastatin
PDB ligand accession: 117
DrugBank: DB01076
PubChem: 60823
ChEMBL: CHEMBL1487
InChI Key: XUKUURHRXDUEBC-KAYWLYCHSA-N
SMILES: CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC(O)=O)C1=CC=C(F)C=C1)C1=CC=CC=C1
Drug action: n/a

List of small molecule binding-associated PTMs for P04035

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
THR 589 Phosphorylation PyMOL_Chai1
LYS 662 Ubiquitination
LYS 692 Ubiquitination