Ligand name: 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-2-YL)HEXANOIC ACID
PDB ligand accession: ELI
DrugBank: DB07714
PubChem: 10708341
ChEMBL: CHEMBL135287
InChI Key: ICGRXHWXPCXIKM-UHFFFAOYSA-N
SMILES: CC1=C(CCCCCC(O)=O)C(=O)C2=CC=CC=C2C1=O
Drug action: n/a

List of small molecule binding-associated PTMs for P00390

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 97 Acetylation PyMOL_RFAA
LYS 164 Acetylation PyMOL_RFAA
CYS 107 Glutathionylation
TYR 158 Phosphorylation PyMOL_Chai1
THR 383 Phosphorylation PyMOL_RFAA
THR 101 Phosphorylation PyMOL_RFAA
THR 163 Phosphorylation PyMOL_RFAA
SER 165 Phosphorylation PyMOL_Chai1
CYS 107 S-nitrosylation PyMOL_RFAA
THR 448 Phosphorylation PyMOL_RFAA
THR 513 Phosphorylation PyMOL_RFAA
THR 520 Phosphorylation PyMOL_RFAA