Attributes
UniProt ID
Protein Name
Multidrug efflux pump subunit AcrB
Ligand Name
DI(HYDROXYETHYL)ETHER
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MTHSVFCYNBDYFN-UHFFFAOYSA-N
SMILES
C(COCCO)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5ENT
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Color Legend
Unassigned regionsLigand / hetero atomse5entA1e5entA2e5entA3e5entA4e5entA5e5entA6e5entB1e5entB2e5entB3e5entB4e5entB5e5entB6e5entC1e5entC2e5entC3e5entC4e5entC5e5entC6e5entD1e5entE1e5entF1
ECOD domains from experimental PDB structures interacting with ligand PEG
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P31224 | n/a | PEG | 5ent | e5entC1 | C:569-673 |
| P31224 | n/a | PEG | 5ent | e5entC5 | C:135-181,C:274-327 |
| P31224 | n/a | PEG | 7b8r | e7b8rA1 | A:39-132 |
| P31224 | n/a | PEG | 7b8r | e7b8rA2 | A:182-273 |
| P31224 | n/a | PEG | 7b8r | e7b8rA4 | A:724-812 |
| P31224 | n/a | PEG | 7b8r | e7b8rB1 | B:39-132 |
| P31224 | n/a | PEG | 7b8r | e7b8rB5 | B:672-724,B:813-864 |
| P31224 | n/a | PEG | 7b8r | e7b8rB6 | B:553-671 |
| P31224 | n/a | PEG | 7b8r | e7b8rC1 | C:38-133 |
| P31224 | n/a | PEG | 7b8r | e7b8rC2 | C:182-273 |
| P31224 | n/a | PEG | 7b8r | e7b8rC4 | C:724-812 |