› 4ksd

X-ray diffraction
4.1Å resolution

Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain

Released:
DOI: 10.2210/pdb4ksd/pdb
PDB entry 4ksd coloured by chain, front view.
PDB entry 4ksd coloured by chain, side view.
PDB entry 4ksd coloured by chain, top view.
Source organisms:
Primary publication:
Structures of P-glycoprotein reveal its conformational flexibility and an epitope on the nucleotide-binding domain.
Ward AB, Szewczyk P, Grimard V, Lee CW, Martinez L, Doshi R, Caya A, Villaluz M, Pardon E, Cregger C, Swartz DJ, Falson PG, Urbatsch IL, Govaerts C, Steyaert J, Chang G
Proc Natl Acad Sci U S A 110 13386-91 (2013)
PMID: 23901103

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-210801 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
ATP-dependent translocase ABCB1 Chain: A
Molecule details ›
Chain: A
Length: 1284 amino acids
Theoretical weight: 141.88 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:
R2 protein Chain: B
Molecule details ›
Chain: B
Length: 124 amino acids
Theoretical weight: 13.81 KDa
Source organism: Lama glama
Expression system: Escherichia coli

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P212121
Unit cell:
a: 87.1Å b: 102.47Å c: 312.1Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.324 0.323 0.344
Expression systems:
  • Komagataella pastoris
  • Escherichia coli

Quick links

Citations

31 review citations

Mechanistic diversity in ATP-binding cassette (ABC) transporters.
Locher KP. (2016)
30 more

7 mentions without citation

Prediction of drug-ABC-transporter interaction--Recent advances and future challenges.
Montanari et al. (2015)
6 more