› 6eti

Electron Microscopy
3.1Å resolution

Structure of inhibitor-bound ABCG2

Released:
DOI: 10.2210/pdb6eti/pdb
PDB entry 6eti coloured by chain, front view.
PDB entry 6eti coloured by chain, side view.
PDB entry 6eti coloured by chain, top view.
Source organisms:
Primary publication:
Structural basis of small-molecule inhibition of human multidrug transporter ABCG2.
Jackson SM, Manolaridis I, Kowal J, Zechner M, Taylor NMI, Bause M, Bauer S, Bartholomaeus R, Bernhardt G, Koenig B, Buschauer A, Stahlberg H, Altmann KH, Locher KP
Nat Struct Mol Biol 25 333-340 (2018)
PMID: 29610494
Related structures: EMD-3953

Function and Biology Details

Reaction catalysed: 
ATP + H(2)O + xenobiotic(Side 1) = ADP + phosphate + xenobiotic(Side 2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-212843 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (4 distinct):
Broad substrate specificity ATP-binding cassette transporter ABCG2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 655 amino acids
Theoretical weight: 72.39 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: Q9UNQ0 (Residues: 1-655; Coverage: 100%)
Gene names: ABCG2, ABCP, BCRP, BCRP1, MXR
Sequence domains:
5D3(Fab) light chain variable domain Chains: C, E
Molecule details ›
Chains: C, E
Length: 214 amino acids
Theoretical weight: 23.59 KDa
Source organism: Mus musculus
Expression system: Mus musculus
Structure domains: Immunoglobulins
5D3(Fab) heavy chain variable domain Chains: D, F
Molecule details ›
Chains: D, F
Length: 221 amino acids
Theoretical weight: 23.84 KDa
Source organism: Mus musculus
Expression system: Mus musculus

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
1 bound ligand:
Ligand BWQ 2 x BWQ
No modified residues

Experiments and Validation Details

Entry percentile scores
Resolution: 3.1Å
Relevant EMDB volumes: EMD-3953
Expression systems:
  • Homo sapiens
  • Mus musculus

Quick links

Citations

24 review citations

Cryo-EM in drug discovery: achievements, limitations and prospects.
Renaud et al. (2018)
23 more

39 mentions without citation

Structural and functional diversity calls for a new classification of ABC transporters.
Thomas et al. (2020)
38 more