› 4xwk

X-ray diffraction
3.5Å resolution

P-glycoprotein co-crystallized with BDE-100

Released:
DOI: 10.2210/pdb4xwk/pdb
PDB entry 4xwk coloured by chain, front view.
PDB entry 4xwk coloured by chain, side view.
PDB entry 4xwk coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Global marine pollutants inhibit P-glycoprotein: Environmental levels, inhibitory effects, and cocrystal structure.
Nicklisch SC, Rees SD, McGrath AP, Gökirmak T, Bonito LT, Vermeer LM, Cregger C, Loewen G, Sandin S, Chang G, Hamdoun A
Sci Adv 2 e1600001 (2016)
PMID: 27152359

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: 1284 amino acids
Theoretical weight: 141.92 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:
Structure 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: CLSI BEAMLINE 08ID-1
Spacegroup: P212121
Unit cell:
a: 89Å b: 138.16Å c: 185.15Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.264 0.263 0.282
Expression system: Komagataella pastoris

Quick links

Citations

5 review citations

When evolution is the solution to pollution: Key principles, and lessons from rapid repeated adaptation of killifish (Fundulus heteroclitus) populations.
Whitehead et al. (2017)
4 more

20 mentions without citation

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