› 6ujr

X-ray diffraction
4.1Å resolution

P-glycoprotein mutant-F724A and C952A-with BDE100

Released:
DOI: 10.2210/pdb6ujr/pdb
PDB entry 6ujr coloured by chain, front view.
PDB entry 6ujr coloured by chain, side view.
PDB entry 6ujr coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Le CA, Harvey DS, Aller SG
IUCrJ 7 663-672 (2020)
PMID: 32695413

Function and Biology Details

Reactions catalysed: 
ATP + H(2)O + phospholipid(Side 1) = ADP + phosphate + phospholipid(Side 2)
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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149243 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
ATP-dependent translocase ABCB1 Chain: A
Molecule details ›
Chain: A
Length: 1282 amino acids
Theoretical weight: 141.57 KDa
Source organism: Mus musculus
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P21447 (Residues: 1-1276; Coverage: 100%)
Gene names: Abcb1a, Abcb4, Mdr1a, Mdr3, Pgy-3, Pgy3
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand 4C8 1 x 4C8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P212121
Unit cell:
a: 90.397Å b: 138.027Å c: 193.888Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.274 0.271 0.295
Expression system: Komagataella pastoris

Quick links

Citations

3 review citations

The role of the degenerate nucleotide binding site in type I ABC exporters.
Stockner et al. (2020)
2 more

2 mentions without citation

Structural definition of polyspecific compensatory ligand recognition by P-glycoprotein.
Le et al. (2020)
1 more