Ligand name: Sanglifehrin A
PDB ligand accession: SFA
DrugBank: DB03393
PubChem: 5388925
ChEMBL: CHEMBL410807
InChI Key: ONJZYZYZIKTIEG-CFBQITSMSA-N
SMILES: [H][C@@]12CCCN(N1)C(=O)[C@H](CC1=CC(O)=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CCC(C)=O)[C@H](O)[C@@H](C)[C@@H](O)\C=C\C=C\C[C@H](OC2=O)C(\C)=C\C=C\CC[C@H](C)[C@@H](O)C[C@@H]1O[C@@]2(NC(=O)[C@@H](CC)C[C@@H]2C)[C@@H](C)[C@@H](O)[C@H]1C)C(C)C
Drug action: n/a

List of small molecule binding-associated PTMs for P62937

Residue	UniProt number	Type of PTM	AlphaFold3 models	Rosetta models	Chai-1 models
LYS	76	Acetylation		PyMOL_RFAA
LYS	82	Acetylation		PyMOL_RFAA
LYS	118	Acetylation		PyMOL_RFAA
LYS	125	Acetylation		PyMOL_RFAA
CYS	62	Glutathionylation
LYS	125	Malonylation		PyMOL_RFAA
LYS	76	Malonylation		PyMOL_RFAA
LYS	125	Methylation		PyMOL_RFAA PyMOL_RFAA
ASN	108	N-linked_glycosylation
THR	68	Phosphorylation		PyMOL_RFAA
SER	99	Phosphorylation		PyMOL_RFAA
SER	110	Phosphorylation		PyMOL_RFAA
SER	147	Phosphorylation		PyMOL_RFAA
THR	73	Phosphorylation		PyMOL_RFAA
CYS	62	S-palmitoylation		PyMOL_RFAA
LYS	82	Succinylation		PyMOL_RFAA PyMOL_RFAA
MET	61	Sulfoxidation		PyMOL_RFAA
LYS	125	Sumoylation
LYS	82	Sumoylation
LYS	76	Sumoylation
LYS	118	Sumoylation
LYS	76	Ubiquitination
LYS	82	Ubiquitination
LYS	118	Ubiquitination
LYS	125	Ubiquitination