DrugDomain

Attributes

UniProt ID

P31224

Protein Name

Multidrug efflux pump subunit AcrB

Ligand Name

N-OCTANE

DrugBank ID

None

PDB Ligand Accession

OCT

ChEMBL ID

n/a

PubChem ID

n/a

InChIKey

TVMXDCGIABBOFY-UHFFFAOYSA-N

SMILES

CCCCCCCC

Drug Action

No data available

Affinity Metrics

No affinity data available

3D Structure

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Mol*

Structure: 4DX5

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Color Legend

Unassigned regionsLigand / hetero atomse4dx5A1e4dx5A2e4dx5A3e4dx5A4e4dx5A5e4dx5A6e4dx5A7e4dx5A8e4dx5B1e4dx5B10e4dx5B11e4dx5B12e4dx5B13e4dx5B14e4dx5B15e4dx5B9e4dx5C23e4dx5C24e4dx5C25e4dx5C26e4dx5C27e4dx5C28e4dx5C29e4dx5C5e4dx5D1e4dx5E2

ECOD domains from experimental PDB structures interacting with ligand OCT

UniProt	DrugBank	PDB Ligand	PDB ID	ECOD Domain	Range Definition
P31224	n/a	OCT	4dx5	e4dx5A1	A:505-566,A:869-1044
P31224	n/a	OCT	4dx5	e4dx5C24	C:499-552,C:845-1033
P31224	n/a	OCT	4dx5	e4dx5C25	C:1-37,C:331-498
P31224	n/a	OCT	4dx5	e4dx5C27	C:553-659
P31224	n/a	OCT	5jmn	e5jmnB8	B:1-37,B:331-504
P31224	n/a	OCT	5jmn	e5jmnC7	C:1-37,C:331-504
P31224	n/a	OCT	6q4n	e6q4nA1	A:1-37,A:331-504
P31224	n/a	OCT	6q4n	e6q4nB1	B:505-566,B:869-1034
P31224	n/a	OCT	6q4n	e6q4nC1	C:1-37,C:331-504
P31224	n/a	OCT	6q4o	e6q4oA5	A:1-37,A:331-504
P31224	n/a	OCT	6q4o	e6q4oB4	B:1-37,B:331-504
P31224	n/a	OCT	6q4p	e6q4pB7	B:505-566,B:869-1034
P31224	n/a	OCT	6q4p	e6q4pC7	C:505-566,C:869-1034
P31224	n/a	OCT	6zo5	e6zo5C2	C:505-566,C:869-1034
P31224	n/a	OCT	6zo6	e6zo6A1	A:1-37,A:331-504
P31224	n/a	OCT	6zo6	e6zo6C5	C:1-37,C:331-504
P31224	n/a	OCT	6zo8	e6zo8B1	B:1-37,B:331-504
P31224	n/a	OCT	6zo8	e6zo8B2	B:135-181,B:274-330
P31224	n/a	OCT	6zo8	e6zo8C3	C:505-566,C:869-1035
P31224	n/a	OCT	6zo9	e6zo9B1	B:505-566,B:869-1034
P31224	n/a	OCT	6zo9	e6zo9C3	C:505-566,C:869-1035
P31224	n/a	OCT	6zoa	e6zoaA3	A:1-37,A:331-504
P31224	n/a	OCT	6zoa	e6zoaB7	B:505-566,B:869-1033
P31224	n/a	OCT	6zoa	e6zoaC3	C:505-566,C:869-1035
P31224	n/a	OCT	6zob	e6zobB3	B:135-181,B:274-330
P31224	n/a	OCT	6zob	e6zobB8	B:1-37,B:331-504
P31224	n/a	OCT	6zoc	e6zocB5	B:1-37,B:331-504
P31224	n/a	OCT	6zoc	e6zocC6	C:1-37,C:331-504
P31224	n/a	OCT	6zog	e6zogB1	B:135-181,B:274-330
P31224	n/a	OCT	6zog	e6zogB4	B:1-37,B:331-504
P31224	n/a	OCT	7ouk	e7oukA8	A:505-566,A:869-1042
P31224	n/a	OCT	7ouk	e7oukC1	C:505-566,C:869-1033
P31224	n/a	OCT	7ouk	e7oukC2	C:1-37,C:331-504
P31224	n/a	OCT	7oum	e7oumC3	C:1-37,C:331-498