PDB ligand accession: THR
DrugBank: DB00156
PubChem: 6288;6971019;
ChEMBL:
InChI Key: AYFVYJQAPQTCCC-GBXIJSLDSA-N
SMILES: CC(C(C(=O)O)N)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 2DTJ | Download | Experimental | e2dtjA1 e2dtjB1 e2dtjA1 e2dtjA2 e2dtjB2 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 3AB2 | Download | Experimental | e3ab2A7 e3ab2B3 e3ab2A6 e3ab2B4 e3ab2A1 e3ab2C7 e3ab2D1 e3ab2C1 e3ab2D2 e3ab2E6 e3ab2E7 e3ab2F1 e3ab2E6 e3ab2E1 e3ab2F2 e3ab2G7 e3ab2H3 e3ab2H4 e3ab2G1 e3ab2I1 e3ab2J1 e3ab2J2 e3ab2I1 e3ab2J2 e3ab2K5 e3ab2L1 e3ab2K1 e3ab2L2 e3ab2M9 e3ab2N1 e3ab2M7 e3ab2N2 e3ab2O7 e3ab2P3 e3ab2O6 e3ab2P4 e3ab2O1 | Alpha-beta plaits Alpha-beta plaits Carbamate kinase-like Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Carbamate kinase-like Alpha-beta plaits Alpha-beta plaits Carbamate kinase-like Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Carbamate kinase-like Alpha-beta plaits Alpha-beta plaits | LigPlot |
| 3AB4 | Download | Experimental | e3ab4A3 e3ab4B1 e3ab4A1 e3ab4A2 e3ab4B2 e3ab4C9 e3ab4D1 e3ab4C7 e3ab4D2 e3ab4E8 e3ab4E9 e3ab4F1 e3ab4E7 e3ab4E8 e3ab4F2 e3ab4G9 e3ab4H1 e3ab4G7 e3ab4H2 e3ab4J3 e3ab4I9 e3ab4J4 e3ab4I7 e3ab4K9 e3ab4L1 e3ab4K7 e3ab4L2 e3ab4M3 e3ab4N1 e3ab4M2 e3ab4N2 e3ab4O3 e3ab4P1 e3ab4O1 e3ab4O4 e3ab4P2 | Alpha-beta plaits Alpha-beta plaits Carbamate kinase-like Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Carbamate kinase-like Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Carbamate kinase-like Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Carbamate kinase-like Alpha-beta plaits | LigPlot |
| 3AAW | Download | Experimental | e3aawA6 e3aawB3 e3aawA4 e3aawA5 e3aawB4 e3aawC7 e3aawD3 e3aawD4 e3aawC3 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Carbamate kinase-like Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |