Ligand name: S-4-Nitrobutyryl-CoA
PDB ligand accession: NBC
DrugBank: DB03245
PubChem: 448575
ChEMBL: n/a
InChI Key: PXNIOQHGCSEKCC-CITAKDKDSA-N
SMILES: [H]N([H])C1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OCC(C)(C)[C@@H](O)C(=O)N([H])CCC(=O)N([H])CCSC(=O)CCC[N+]([O-])=O)[C@@H](OP(O)(O)=O)[C@H]3O)C2=NC=N1
Drug action: n/a

List of small molecule binding-associated PTMs for Q92947

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
TYR	137	Phosphorylation			PyMOL_Chai1
SER	142	Phosphorylation		PyMOL_RFAA
TYR	155	Phosphorylation			PyMOL_Chai1
SER	368	Phosphorylation		PyMOL_RFAA
THR	435	Phosphorylation		PyMOL_RFAA