Ligand name: Geldanamycin
PDB ligand accession: GDM
DrugBank: DB02424
PubChem: 5288382
ChEMBL: CHEMBL278315
InChI Key: QTQAWLPCGQOSGP-KSRBKZBZSA-N
SMILES: CO[C@H]1C[C@H](C)CC2=C(OC)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 P14625

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	114	Acetylation		PyMOL_RFAA	PyMOL_Chai1
LYS	161	Acetylation			PyMOL_Chai1
LYS	168	Acetylation			PyMOL_Chai1
TYR	94	Phosphorylation			PyMOL_Chai1
SER	106	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
SER	109	Phosphorylation			PyMOL_Chai1
THR	148	Phosphorylation			PyMOL_Chai1
THR	150	Phosphorylation		PyMOL_RFAA	PyMOL_Chai1
THR	165	Phosphorylation			PyMOL_Chai1
SER	169	Phosphorylation			PyMOL_Chai1
THR	171	Phosphorylation			PyMOL_Chai1
SER	172	Phosphorylation			PyMOL_Chai1
TYR	200	Phosphorylation			PyMOL_Chai1
SER	201	Phosphorylation			PyMOL_Chai1
THR	155	Phosphorylation			PyMOL_Chai1
THR	188	Phosphorylation			PyMOL_Chai1
THR	246	Phosphorylation			PyMOL_Chai1
THR	248	Phosphorylation			PyMOL_Chai1
LYS	161	Succinylation		PyMOL_RFAA	PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1 PyMOL_Chai1
MET	154	Sulfoxidation			PyMOL_Chai1
LYS	114	Ubiquitination
LYS	161	Ubiquitination
LYS	168	Ubiquitination