Attributes
UniProt ID
Protein Name
Multidrug efflux pump subunit AcrB
Ligand Name
DODECANE
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
SNRUBQQJIBEYMU-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCC
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4DX5
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Color Legend
Unassigned regionsLigand / hetero atomse4dx5A1e4dx5A2e4dx5A3e4dx5A4e4dx5A5e4dx5A6e4dx5A7e4dx5A8e4dx5B1e4dx5B10e4dx5B11e4dx5B12e4dx5B13e4dx5B14e4dx5B15e4dx5B9e4dx5C23e4dx5C24e4dx5C25e4dx5C26e4dx5C27e4dx5C28e4dx5C29e4dx5C5e4dx5D1e4dx5E2
ECOD domains from experimental PDB structures interacting with ligand D12
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P31224 | n/a | D12 | 4dx5 | e4dx5A1 | A:505-566,A:869-1044 |
| P31224 | n/a | D12 | 4dx5 | e4dx5A3 | A:1-37,A:331-504 |
| P31224 | n/a | D12 | 4dx5 | e4dx5B10 | B:499-552,B:845-1033 |
| P31224 | n/a | D12 | 4dx5 | e4dx5B11 | B:1-37,B:331-498 |
| P31224 | n/a | D12 | 4dx5 | e4dx5C24 | C:499-552,C:845-1033 |
| P31224 | n/a | D12 | 4dx5 | e4dx5C25 | C:1-37,C:331-498 |
| P31224 | n/a | D12 | 4dx7 | e4dx7A10 | A:505-566,A:864-1042 |
| P31224 | n/a | D12 | 4dx7 | e4dx7A13 | A:1-37,A:331-504 |
| P31224 | n/a | D12 | 4dx7 | e4dx7B10 | B:499-552,B:845-1033 |
| P31224 | n/a | D12 | 4dx7 | e4dx7B11 | B:1-37,B:331-498 |
| P31224 | n/a | D12 | 4dx7 | e4dx7C17 | C:499-552,C:845-1036 |
| P31224 | n/a | D12 | 4dx7 | e4dx7C18 | C:1-37,C:331-498 |
| P31224 | n/a | D12 | 5jmn | e5jmnA1 | A:505-566,A:869-1034 |
| P31224 | n/a | D12 | 5jmn | e5jmnB8 | B:1-37,B:331-504 |
| P31224 | n/a | D12 | 5jmn | e5jmnC7 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 5nc5 | e5nc5A1 | A:1-37,A:331-504 |
| P31224 | n/a | D12 | 5nc5 | e5nc5A6 | A:505-566,A:869-1044 |
| P31224 | n/a | D12 | 5nc5 | e5nc5B4 | B:505-566,B:869-1033 |
| P31224 | n/a | D12 | 5nc5 | e5nc5B5 | B:1-37,B:331-504 |
| P31224 | n/a | D12 | 5nc5 | e5nc5C7 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 5nc5 | e5nc5C8 | C:505-566,C:869-1033 |
| P31224 | n/a | D12 | 6baj | e6bajB1 | B:505-566,B:869-1033 |
| P31224 | n/a | D12 | 6baj | e6bajC4 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 6baj | e6bajC6 | C:505-566,C:869-1033 |
| P31224 | n/a | D12 | 6csx | e6csxB1 | B:1-37,B:331-504 |
| P31224 | n/a | D12 | 6q4n | e6q4nB6 | B:1-37,B:331-504 |
| P31224 | n/a | D12 | 6q4o | e6q4oB7 | B:505-566,B:869-1034 |
| P31224 | n/a | D12 | 6q4o | e6q4oC5 | C:1-37,C:331-498 |
| P31224 | n/a | D12 | 6q4p | e6q4pA6 | A:1-37,A:331-504 |
| P31224 | n/a | D12 | 6q4p | e6q4pB7 | B:505-566,B:869-1034 |
| P31224 | n/a | D12 | 6q4p | e6q4pC5 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 6q4p | e6q4pC7 | C:505-566,C:869-1034 |
| P31224 | n/a | D12 | 6zo5 | e6zo5A6 | A:1-37,A:331-504 |
| P31224 | n/a | D12 | 6zo5 | e6zo5B6 | B:505-566,B:869-1034 |
| P31224 | n/a | D12 | 6zo5 | e6zo5C3 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 6zo6 | e6zo6A7 | A:505-566,A:869-1042 |
| P31224 | n/a | D12 | 6zo6 | e6zo6C4 | C:505-566,C:869-1034 |
| P31224 | n/a | D12 | 6zo6 | e6zo6C5 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 6zo7 | e6zo7A7 | A:505-566,A:869-1042 |
| P31224 | n/a | D12 | 6zo7 | e6zo7C1 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 6zo8 | e6zo8A3 | A:1-37,A:331-504 |
| P31224 | n/a | D12 | 6zo8 | e6zo8B3 | B:505-566,B:869-1034 |
| P31224 | n/a | D12 | 6zo8 | e6zo8C1 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 6zo9 | e6zo9A5 | A:505-566,A:869-1042 |
| P31224 | n/a | D12 | 6zo9 | e6zo9A6 | A:1-37,A:331-504 |
| P31224 | n/a | D12 | 6zo9 | e6zo9C8 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 6zoa | e6zoaA6 | A:505-566,A:869-1042 |
| P31224 | n/a | D12 | 6zoa | e6zoaC4 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 6zoc | e6zocA2 | A:505-566,A:869-1034 |
| P31224 | n/a | D12 | 6zoc | e6zocA7 | A:1-37,A:331-504 |
| P31224 | n/a | D12 | 6zoc | e6zocB1 | B:505-566,B:869-1033 |
| P31224 | n/a | D12 | 6zoc | e6zocB5 | B:1-37,B:331-504 |
| P31224 | n/a | D12 | 6zoc | e6zocC6 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 6zod | e6zodC6 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 6zog | e6zogA2 | A:505-566,A:869-1034 |
| P31224 | n/a | D12 | 6zog | e6zogC8 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 6zoh | e6zohA7 | A:1-37,A:331-504 |
| P31224 | n/a | D12 | 6zoh | e6zohB3 | B:505-566,B:869-1034 |
| P31224 | n/a | D12 | 6zoh | e6zohC2 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 7oul | e7oulA5 | A:1-37,A:331-504 |
| P31224 | n/a | D12 | 7rr6 | e7rr6C4 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 7rr7 | e7rr7A2 | A:1-37,A:331-504 |
| P31224 | n/a | D12 | 7rr7 | e7rr7B5 | B:1-37,B:331-504 |
| P31224 | n/a | D12 | 7rr7 | e7rr7C2 | C:1-37,C:331-504 |
| P31224 | n/a | D12 | 7rr8 | e7rr8A8 | A:1-37,A:331-504 |