PDB ligand accession: B12
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: LKVIQTCSMMVGFU-DWSMJLPVSA-N
SMILES: Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Tetrapyrroles and derivatives
- Subclass: Corrinoids
- Class: Tetrapyrroles and derivatives
- Superclass: Organoheterocyclic compounds
| PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
|---|---|---|---|---|---|
| 7XRK | Download | Experimental | e7xrkA1 e7xrkB1 e7xrkD1 e7xrkE1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 3AUJ | Download | Experimental | e3aujA1 e3aujB1 e3aujE2 e3aujL1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit B12-dependent dehydratase associated subunit TIM beta/alpha-barrel | LigPlot |
| 1IWB | Download | Experimental | e1iwbB1 e1iwbA1 e1iwbE1 e1iwbL1 | B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel | LigPlot |
| 1DIO | Download | Experimental | e1dioB1 e1dioA1 e1dioE1 e1dioL1 | B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel | LigPlot |
| 5YSH | Download | Experimental | e5yshA1 e5yshB1 e5yshD1 e5yshE1 e5yshG1 e5yshH1 e5yshJ1 e5yshK1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 5YRV | Download | Experimental | e5yrvA1 e5yrvB1 e5yrvD1 e5yrvE1 e5yrvG1 e5yrvH1 e5yrvJ1 e5yrvK1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 7XRL | Download | Experimental | e7xrlA1 e7xrlB1 e7xrlC1 e7xrlD1 e7xrlE1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit Diol dehydratase, gamma subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 5YRT | Download | Experimental | e5yrtB1 e5yrtA1 e5yrtD1 e5yrtE1 e5yrtG1 e5yrtH1 e5yrtJ1 e5yrtK1 | B12-dependent dehydratase associated subunit TIM beta/alpha-barrel TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |