Attributes
UniProt ID
Protein Name
Multifunctional 2-oxoglutarate metabolism enzyme
Ligand Name
ACETYL COENZYME *A
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZSLZBFCDCINBPY-ZSJPKINUSA-N
SMILES
CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 2XTA
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Color Legend
Unassigned regionsLigand / hetero atomse2xtaA1e2xtaA2e2xtaA3e2xtaB1e2xtaB2e2xtaB3e2xtaC1e2xtaC2e2xtaC3e2xtaD1e2xtaD2e2xtaD3
ECOD domains from experimental PDB structures interacting with ligand ACO
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0R2B1 | n/a | ACO | 2xta | e2xtaA2 | A:831-1090 |
| A0R2B1 | n/a | ACO | 2xta | e2xtaA3 | A:1091-1227 |
| A0R2B1 | n/a | ACO | 2xta | e2xtaC2 | C:830-1090 |
| A0R2B1 | n/a | ACO | 2xta | e2xtaC3 | C:1091-1227 |
| A0R2B1 | n/a | ACO | 2xta | e2xtaD2 | D:829-1090 |
| A0R2B1 | n/a | ACO | 2xta | e2xtaD3 | D:1091-1227 |
| A0R2B1 | n/a | ACO | 2y0p | e2y0pA2 | A:820-1090 |
| A0R2B1 | n/a | ACO | 2y0p | e2y0pA3 | A:1091-1227 |
| A0R2B1 | n/a | ACO | 2y0p | e2y0pB2 | B:820-1090 |
| A0R2B1 | n/a | ACO | 2y0p | e2y0pB3 | B:1091-1227 |
| A0R2B1 | n/a | ACO | 2y0p | e2y0pC2 | C:820-1090 |
| A0R2B1 | n/a | ACO | 2y0p | e2y0pC3 | C:1091-1227 |
| A0R2B1 | n/a | ACO | 2y0p | e2y0pD2 | D:820-1090 |
| A0R2B1 | n/a | ACO | 2y0p | e2y0pD3 | D:1091-1227 |