Ligand name: Alvespimycin
PDB ligand accession: KOS
DrugBank: DB12442
PubChem: 5288674
ChEMBL: CHEMBL383824
InChI Key: KUFRQPKVAWMTJO-LMZWQJSESA-N
SMILES: CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O
Drug action: n/a

List of small molecule binding-associated PTMs for P07900

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	58	Acetylation		PyMOL_RFAA
LYS	100	Acetylation		PyMOL_RFAA
LYS	112	Acetylation		PyMOL_RFAA
SER	52	Phosphorylation		PyMOL_RFAA
SER	53	Phosphorylation		PyMOL_RFAA
THR	94	Phosphorylation		PyMOL_RFAA
THR	99	Phosphorylation		PyMOL_RFAA
THR	109	Phosphorylation		PyMOL_RFAA
SER	113	Phosphorylation		PyMOL_RFAA
THR	115	Phosphorylation		PyMOL_RFAA
SER	50	Phosphorylation		PyMOL_RFAA
LYS	100	Succinylation		PyMOL_RFAA PyMOL_RFAA
MET	98	Sulfoxidation		PyMOL_RFAA
LYS	58	Ubiquitination
LYS	112	Ubiquitination
LYS	185	Ubiquitination