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 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