Ligand name: COBALAMIN
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

List of PDB structures and/or AlphaFold models with target protein Q8VPJ5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3KOW	Download	Experimental	e3kowA4 e3kowC3 e3kowA3 e3kowD3 e3kowB1 e3kowA4 e3kowC1 e3kowA3 e3kowB3 e3kowD1	TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like	LigPlot
3KOX	Download	Experimental	e3koxA3 e3koxC3 e3koxA1 e3koxD3 e3koxB1 e3koxA3 e3koxA1 e3koxC1 e3koxB3 e3koxD1	TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like	LigPlot
3KP0	Download	Experimental	e3kp0D4 e3kp0B1 e3kp0A2 e3kp0C1	TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like	LigPlot
3KOY	Download	Experimental	e3koyA3 e3koyC3 e3koyA1 e3koyD3 e3koyB1 e3koyA3 e3koyA1 e3koyC1 e3koyB3 e3koyD1	TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like	LigPlot
3KP1	Download	Experimental	e3kp1A3 e3kp1C3 e3kp1A1 e3kp1D3 e3kp1B1 e3kp1B3 e3kp1D1 e3kp1A3 e3kp1A1 e3kp1C1	TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like Flavodoxin-like	LigPlot
3KOZ	Download	Experimental	e3kozA3 e3kozC3 e3kozA1 e3kozD3 e3kozB1 e3kozA3 e3kozA1 e3kozC1 e3kozB3 e3kozD1	TIM beta/alpha-barrel TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like Flavodoxin-like TIM beta/alpha-barrel Flavodoxin-like	LigPlot