DrugDomain

Attributes

UniProt ID

P31224

Protein Name

Multidrug efflux pump subunit AcrB

Ligand Name

(2S)-3-hydroxypropane-1,2-diyl didecanoate

DrugBank ID

None

PDB Ligand Accession

DDR

ChEMBL ID

n/a

PubChem ID

n/a

InChIKey

GNSDEDOVXZDMKM-NRFANRHFSA-N

SMILES

CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC

Drug Action

No data available

Affinity Metrics

No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Mol*

Structure: 6Q4N

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Color Legend

Unassigned regionsLigand / hetero atomse6q4nA1e6q4nA2e6q4nA3e6q4nA4e6q4nA5e6q4nA6e6q4nA7e6q4nA8e6q4nB1e6q4nB2e6q4nB3e6q4nB4e6q4nB5e6q4nB6e6q4nB7e6q4nB8e6q4nC1e6q4nC2e6q4nC3e6q4nC4e6q4nC5e6q4nC6e6q4nC7e6q4nC8e6q4nD1e6q4nE1

ECOD domains from experimental PDB structures interacting with ligand DDR

UniProt	DrugBank	PDB Ligand	PDB ID	ECOD Domain	Range Definition
P31224	n/a	DDR	6q4n	e6q4nB1	B:505-566,B:869-1034
P31224	n/a	DDR	6q4n	e6q4nB6	B:1-37,B:331-504
P31224	n/a	DDR	6q4o	e6q4oB4	B:1-37,B:331-504
P31224	n/a	DDR	6q4o	e6q4oB7	B:505-566,B:869-1034
P31224	n/a	DDR	6q4p	e6q4pB5	B:1-37,B:331-504
P31224	n/a	DDR	6q4p	e6q4pB7	B:505-566,B:869-1034
P31224	n/a	DDR	6zo5	e6zo5B6	B:505-566,B:869-1034
P31224	n/a	DDR	6zo5	e6zo5B8	B:1-37,B:331-504
P31224	n/a	DDR	6zo6	e6zo6B2	B:505-566,B:869-1033
P31224	n/a	DDR	6zo6	e6zo6B4	B:1-37,B:331-504
P31224	n/a	DDR	6zo8	e6zo8B1	B:1-37,B:331-504
P31224	n/a	DDR	6zo8	e6zo8B3	B:505-566,B:869-1034
P31224	n/a	DDR	6zo9	e6zo9B1	B:505-566,B:869-1034
P31224	n/a	DDR	6zo9	e6zo9B2	B:1-37,B:331-504
P31224	n/a	DDR	6zob	e6zobB5	B:505-566,B:869-1034
P31224	n/a	DDR	6zob	e6zobB8	B:1-37,B:331-504
P31224	n/a	DDR	6zog	e6zogB4	B:1-37,B:331-504
P31224	n/a	DDR	6zog	e6zogB7	B:505-566,B:869-1034
P31224	n/a	DDR	6zoh	e6zohB3	B:505-566,B:869-1034
P31224	n/a	DDR	6zoh	e6zohB5	B:1-37,B:331-504
P31224	n/a	DDR	7ouk	e7oukB1	B:553-659
P31224	n/a	DDR	7ouk	e7oukB3	B:1-37,B:331-498
P31224	n/a	DDR	7ouk	e7oukB8	B:499-552,B:845-1036