Ligand name: Sirolimus
PDB ligand accession: RAP
DrugBank: DB00877
PubChem: 5284616
ChEMBL: CHEMBL413
InChI Key: QFJCIRLUMZQUOT-HPLJOQBZSA-N
SMILES: [H][C@@]1(C[C@@H](C)[C@]2([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]3([H])CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O2)OC)CC[C@@H](O)[C@@H](C1)OC
Drug action: n/a

List of small molecule binding-associated PTMs for P42345

Residue UniProt number Type of PTM AlphaFold3 models Rosetta models Chai-1 models
LYS 35 Acetylation
LYS 36 Acetylation
LYS 48 Acetylation
LYS 53 Acetylation
CYS 23 Glutathionylation
LYS 48 Malonylation
LYS 53 Malonylation
TYR 81 Phosphorylation
MET 30 Sulfoxidation
LYS 53 Ubiquitination
LYS 58 Acetylation
LYS 66 Acetylation
TYR 57 Phosphorylation
LYS 76 Acetylation
SER 78 Phosphorylation
SER 118 Phosphorylation
TYR 111 Phosphorylation
TYR 113 Phosphorylation
THR 127 Phosphorylation
SER 69 Phosphorylation
SER 70 Phosphorylation
LYS 83 Succinylation
LYS 76 Ubiquitination
LYS 83 Ubiquitination
LYS 88 Ubiquitination
LYS 66 Ubiquitination
LYS 160 Acetylation
LYS 170 Acetylation
LYS 165 Acetylation
CYS 133 Glutathionylation
LYS 160 Malonylation
LYS 165 Malonylation
LYS 170 Malonylation
THR 147 Phosphorylation
SER 163 Phosphorylation
TYR 198 Phosphorylation
TYR 135 Phosphorylation
THR 136 Phosphorylation
THR 138 Phosphorylation
THR 143 Phosphorylation
LYS 170 Ubiquitination
LYS 160 Ubiquitination
LYS 165 Ubiquitination
LYS 207 Ubiquitination
TYR 2088 Phosphorylation
LYS 2066 Malonylation
LYS 2066 Ubiquitination