PDB ligand accession: NIY
DrugBank: DB03867
PubChem: 65124;51671208;
ChEMBL:
InChI Key: FBTSQILOGYXGMD-LURJTMIESA-N
SMILES: N[C@@H](CC1=CC(=C(O)C=C1)[N+]([O-])=O)C(O)=O
Drug action: n/a
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 | PyMOL_RFAA | ||
TYR | 158 | Phosphorylation | PyMOL_Chai1 | ||
THR | 383 | Phosphorylation | PyMOL_RFAA | ||
THR | 101 | Phosphorylation | PyMOL_RFAA | ||
THR | 163 | Phosphorylation | PyMOL_RFAA | ||
SER | 165 | Phosphorylation | PyMOL_RFAA | ||
CYS | 107 | S-nitrosylation | PyMOL_RFAA |