Attributes
UniProt ID
Protein Name
acetyl-CoA 1,2-dioxygenase
Ligand Name
[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[(~{E})-2-[3,5-bis(oxidanyl)phenyl]-1-oxidanyl-ethenyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
LMMCTIXJVGWLEK-NUSWKBOXSA-N
SMILES
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=Cc4cc(cc(c4)O)O)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5KAJ
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Color Legend
Unassigned regionsLigand / hetero atomse5kajA1e5kajB1e5kajC1e5kajD1e5kajE1e5kajF1e5kajG1e5kajH1e5kajI1e5kajJ1e5kajK1e5kajL1
ECOD domains from experimental PDB structures interacting with ligand YE2
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajA1 | A:11-424 |
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajB1 | B:11-426 |
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajC1 | C:12-427 |
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajD1 | D:11-426 |
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajE1 | E:11-427 |
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajF1 | F:12-427 |
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajG1 | G:11-427 |
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajH1 | H:11-427 |
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajI1 | I:12-426 |
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajJ1 | J:12-426 |
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajK1 | K:11-426 |
| Q8KLK7 | n/a | YE2 | 5kaj | e5kajL1 | L:12-427 |