› 4q9j

X-ray diffraction
3.6Å resolution

P-glycoprotein cocrystallised with QZ-Val

Released:
DOI: 10.2210/pdb4q9j/pdb
PDB entry 4q9j coloured by chain, front view.
PDB entry 4q9j coloured by chain, side view.
PDB entry 4q9j coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Snapshots of ligand entry, malleable binding and induced helical movement in P-glycoprotein.
Szewczyk P, Tao H, McGrath AP, Villaluz M, Rees SD, Lee SC, Doshi R, Urbatsch IL, Zhang Q, Chang G
Acta Crystallogr D Biol Crystallogr 71 732-41 (2015)
PMID: 25760620

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 tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149245 (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: 141.92 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:
N-{[5-AMINO-1-(5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1H-IMIDAZOL-4-YL]CARBONYL}-L-ASPARTIC ACID Chains: B, C, D
Molecule details ›
Chains: B, C, D
Length: 6 amino acids
Theoretical weight: 759 Da
Source organism: Mus musculus
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand 30F 9 x 30F

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08ID-1
Spacegroup: P212121
Unit cell:
a: 88.74Å b: 138.66Å c: 189.99Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.262 0.261 0.282
Expression systems:
  • Komagataella pastoris
  • Not provided

Quick links

Citations

11 review citations

Antibiotic Resistance Mechanisms in Bacteria: Relationships Between Resistance Determinants of Antibiotic Producers, Environmental Bacteria, and Clinical Pathogens.
Peterson et al. (2018)
10 more

12 mentions without citation

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