Ligand name: 9,10-Deepithio-9,10-Didehydroacanthifolicin
PDB ligand accession: OKA
DrugBank: DB02169
PubChem: 446512
ChEMBL: CHEMBL280487
InChI Key: QNDVLZJODHBUFM-WFXQOWMNSA-N
SMILES: [H]\C(=C(\[H])[C@@]1([H])CC[C@@]2(CC[C@@]3([H])O[C@@]([H])(C(=C)[C@@]([H])(O)[C@]3([H])O2)[C@@]([H])(O)C[C@]([H])(C)[C@@]2([H])O[C@@]3(CCCCO3)CC[C@@]2([H])C)O1)[C@@]([H])(C)[C@]1([H])CC(C)=C[C@@]2(O[C@]([H])(C[C@@](C)(O)C(O)=O)CC[C@@]2([H])O)O1
Drug action: n/a

List of small molecule binding-associated PTMs for P36873

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
SER	129	Phosphorylation		PyMOL_RFAA
TYR	134	Phosphorylation			PyMOL_Chai1
CYS	127	S-nitrosylation		PyMOL_RFAA