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 |
|---|---|---|---|---|---|
| 3ABO | Download | Experimental | e3aboA1 e3aboB1 e3aboC1 e3aboD1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 3ABR | Download | Experimental | e3abrA1 e3abrB1 e3abrC1 e3abrD1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 7XRM | Download | Experimental | e7xrmA1 e7xrmB1 e7xrmC1 e7xrmD1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 3ABQ | Download | Experimental | e3abqA1 e3abqB1 e3abqC1 e3abqD1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 7XRN | Download | Experimental | e7xrnA1 e7xrnB1 e7xrnC1 e7xrnD1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 5YSN | Download | Experimental | e5ysnA1 e5ysnB1 e5ysnC1 e5ysnD1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 3ANY | Download | Experimental | e3anyA1 e3anyB1 e3anyC1 e3anyD1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 3AO0 | Download | Experimental | e3ao0A1 e3ao0B1 e3ao0C1 e3ao0D1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |
| 5YSR | Download | Experimental | e5ysrA1 e5ysrB1 e5ysrC1 e5ysrD1 | TIM beta/alpha-barrel B12-dependent dehydratase associated subunit TIM beta/alpha-barrel B12-dependent dehydratase associated subunit | LigPlot |