Attributes
UniProt ID
Protein Name
Enterobactin synthase component F ligase ]
Ligand Name
5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ISNNGRBZFMWGAL-DROAMXOMSA-N
SMILES
CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C(CO)N)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5JA1
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Color Legend
Unassigned regionsLigand / hetero atomse5ja1A1e5ja1A2e5ja1A4e5ja1A5e5ja1A6e5ja1A7e5ja1A8e5ja1A9e5ja1B1
ECOD domains from experimental PDB structures interacting with ligand 75C
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P11454 | n/a | 75C | 5ja1 | e5ja1A6 | A:855-963 |
| P11454 | n/a | 75C | 5ja1 | e5ja1A7 | A:960-1052 |
| P11454 | n/a | 75C | 5ja1 | e5ja1A8 | A:780-855 |
| P11454 | n/a | 75C | 5ja1 | e5ja1A9 | A:592-777 |
| P11454 | n/a | 75C | 5ja2 | e5ja2A6 | A:855-963 |
| P11454 | n/a | 75C | 5ja2 | e5ja2A7 | A:960-1052 |
| P11454 | n/a | 75C | 5ja2 | e5ja2A8 | A:780-855 |
| P11454 | n/a | 75C | 5ja2 | e5ja2A9 | A:592-777 |
| P11454 | n/a | 75C | 5t3d | e5t3dA3 | A:955-1045 |
| P11454 | n/a | 75C | 5t3d | e5t3dA4 | A:850-958 |
| P11454 | n/a | 75C | 5t3d | e5t3dA5 | A:775-850 |
| P11454 | n/a | 75C | 5t3d | e5t3dA7 | A:592-776 |