PDB ligand accession: MPD
DrugBank: DB03564
PubChem:
ChEMBL: n/a
InChI Key: SVTBMSDMJJWYQN-YFKPBYRVSA-N
SMILES: CC(CC(C)(C)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Alcohols and polyols
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 1UBL | Download | Experimental | e1ublL6 | FAD-linked reductases, C-terminal domain-like | LigPlot |
| 4U9H | Download | Experimental | e4u9hS2 e4u9hL2 e4u9hL3 e4u9hL4 | Flavodoxin-like alpha-helical domain in nickel-iron hydrogenase, large subunit FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like | LigPlot |
| 1WUL | Download | Experimental | e1wulL2 e1wulS1 | alpha-helical domain in nickel-iron hydrogenase, large subunit Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit | LigPlot |
| 1UBK | Download | Experimental | e1ubkS2 e1ubkL2 | Flavodoxin-like alpha-helical domain in nickel-iron hydrogenase, large subunit | LigPlot |
| 4U9I | Download | Experimental | e4u9iL1 | alpha-helical domain in nickel-iron hydrogenase, large subunit | LigPlot |
| 5XLE | Download | Experimental | e5xleS2 e5xleL1 e5xleS1 e5xleL3 | Fe-S cluster-binding domain in nickel-iron hydrogenase small subunit alpha-helical domain in nickel-iron hydrogenase, large subunit Flavodoxin-like all-beta domain in nickel-iron hydrogenase large subunit | LigPlot |
| 1UBH | Download | Experimental | e1ubhS2 e1ubhL2 e1ubhL1 e1ubhL3 | Flavodoxin-like alpha-helical domain in nickel-iron hydrogenase, large subunit all-beta domain in nickel-iron hydrogenase large subunit FAD-linked reductases, C-terminal domain-like | LigPlot |
| 8W6X | Download | Experimental | e8w6xL1 | all-beta domain in nickel-iron hydrogenase large subunit | LigPlot |
| 5XLF | Download | Experimental | e5xlfS2 e5xlfL4 | Flavodoxin-like all-beta domain in nickel-iron hydrogenase large subunit | LigPlot |
| 1UBM | Download | Experimental | e1ubmL4 | FAD-linked reductases, C-terminal domain-like | LigPlot |