PDB ligand accession: GDS
DrugBank: DB03310
PubChem: 65359;11215652;
ChEMBL:
InChI Key: YPZRWBKMTBYPTK-BJDJZHNGSA-N
SMILES: N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
Drug action: n/a
Residue | UniProt number | Type of PTM | AlphaFold3 models | Rosetta models | Chai-1 models |
---|---|---|---|---|---|
THR | 71 | Phosphorylation | PyMOL_RFAA | ||
TYR | 33 | Phosphorylation | PyMOL_Chai1 | ||
TYR | 41 | Phosphorylation | PyMOL_Chai1 | ||
SER | 73 | Phosphorylation | PyMOL_RFAA | ||
LYS | 50 | Ubiquitination |