PDB ligand accession: NTA
DrugBank: DB03040
PubChem: 8758;139057210;
ChEMBL:
InChI Key: MGFYIUFZLHCRTH-UHFFFAOYSA-N
SMILES: OC(=O)CN(CC(O)=O)CC(O)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
LYS | 216 | Acetylation | PyMOL_RFAA | ||
LYS | 320 | Acetylation | PyMOL_RFAA | ||
TYR | 211 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
SER | 607 | Phosphorylation | PyMOL_RFAA | ||
CYS | 608 | S-nitrosylation | PyMOL_RFAA | ||
LYS | 565 | Acetylation | PyMOL_RFAA | ||
TYR | 545 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
TYR | 547 | Phosphorylation | PyMOL_RFAA | PyMOL_Chai1 | |
THR | 568 | Phosphorylation | PyMOL_RFAA |