PDB ligand accession: ATP
DrugBank: DB00171
PubChem:
ChEMBL:
InChI Key: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Nucleosides, nucleotides, and analogues
- Class: Purine nucleotides
- Subclass: Purine ribonucleotides
- Class: Purine nucleotides
- Superclass: Nucleosides, nucleotides, and analogues
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5MCP | Download | Experimental | e5mcpA2 e5mcpB2 e5mcpB1 e5mcpF2 e5mcpC2 e5mcpD2 e5mcpA2 e5mcpD2 e5mcpE1 e5mcpG2 e5mcpE1 e5mcpF1 e5mcpG2 e5mcpH2 e5mcpF1 e5mcpH2 | TIM beta/alpha-barrel TIM beta/alpha-barrel CBS-domain CBS-domain TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |
5TC3 | Download | Experimental | e5tc3A2 e5tc3B1 | CBS-domain CBS-domain | LigPlot |