Ligand name: NADH
PDB ligand accession: NAI
DrugBank: DB00157
PubChem: 439153
ChEMBL: CHEMBL1234616
InChI Key: BOPGDPNILDQYTO-NNYOXOHSSA-N
SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
Drug action: n/a

List of small molecule binding-associated PTMs for Q96C36

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	228	Acetylation		PyMOL_RFAA
SER	233	Phosphorylation		PyMOL_RFAA
THR	238	Phosphorylation		PyMOL_RFAA
TYR	13	Phosphorylation			PyMOL_Chai1
SER	33	Phosphorylation		PyMOL_RFAA
THR	41	Phosphorylation		PyMOL_RFAA
SER	261	Phosphorylation		PyMOL_RFAA
THR	265	Phosphorylation		PyMOL_RFAA
SER	43	Phosphorylation		PyMOL_RFAA
SER	94	Phosphorylation		PyMOL_RFAA