Attributes
UniProt ID
Protein Name
Multidrug efflux pump subunit AcrB
Ligand Name
(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BBNQHOMJRFAQBN-UPZFVJMDSA-N
SMILES
Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)Nc(c2O)c(c3O)C=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: 6ZO7
Hover over the Mol* viewer to rotate or zoom with the mouse. Move the cursor out of the viewer to go back to normal page scrolling and one-click navigation.
Hover inside the viewer to rotate or zoom. Move out to scroll the page or click links normally.
Color Legend
Unassigned regionsLigand / hetero atomse6zo7A1e6zo7A2e6zo7A3e6zo7A4e6zo7A5e6zo7A6e6zo7A7e6zo7A8e6zo7B1e6zo7B2e6zo7B3e6zo7B4e6zo7B5e6zo7B6e6zo7B7e6zo7B8e6zo7C1e6zo7C2e6zo7C3e6zo7C4e6zo7C5e6zo7C6e6zo7C7e6zo7C8e6zo7D1e6zo7E1
ECOD domains from experimental PDB structures interacting with ligand 3YI
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P31224 | n/a | 3YI | 6zo7 | e6zo7A2 | A:38-134 |
| P31224 | n/a | 3YI | 6zo7 | e6zo7A4 | A:674-724,A:813-868 |
| P31224 | n/a | 3YI | 6zo7 | e6zo7A8 | A:567-673 |
| P31224 | n/a | 3YI | 6zo7 | e6zo7B1 | B:567-673 |
| P31224 | n/a | 3YI | 6zo7 | e6zo7B3 | B:674-724,B:813-868 |
| P31224 | n/a | 3YI | 6zob | e6zobA1 | A:567-673 |
| P31224 | n/a | 3YI | 6zob | e6zobA6 | A:674-724,A:813-868 |
| P31224 | n/a | 3YI | 6zoc | e6zocB2 | B:567-673 |
| P31224 | n/a | 3YI | 6zoc | e6zocB8 | B:674-724,B:813-868 |
| P31224 | n/a | 3YI | 6zoh | e6zohA3 | A:567-673 |
| P31224 | n/a | 3YI | 6zoh | e6zohA4 | A:674-724,A:813-868 |
| P31224 | n/a | 3YI | 6zoh | e6zohA8 | A:135-181,A:274-330 |
| P31224 | n/a | 3YI | 6zoh | e6zohB4 | B:567-673 |
| P31224 | n/a | 3YI | 6zoh | e6zohB7 | B:674-724,B:813-868 |