› 4wz6

X-ray diffraction
2.05Å resolution

Human CFTR aa389-678 (NBD1), deltaF508 with three solubilizing mutations, bound ATP

Released:
DOI: 10.2210/pdb4wz6/pdb
PDB entry 4wz6 coloured by chain, front view.
PDB entry 4wz6 coloured by chain, side view.
PDB entry 4wz6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Binding screen for cystic fibrosis transmembrane conductance regulator correctors finds new chemical matter and yields insights into cystic fibrosis therapeutic strategy.
Hall JD, Wang H, Byrnes LJ, Shanker S, Wang K, Efremov IV, Chong PA, Forman-Kay JD, Aulabaugh AE
Protein Sci 25 360-73 (2016)
PMID: 26444971

Function and Biology Details

Reaction catalysed: 
ATP + H(2)O + closed Cl(-) channel = ADP + phosphate + open Cl(-) channel
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146638 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cystic fibrosis transmembrane conductance regulator Chain: A
Molecule details ›
Chain: A
Length: 290 amino acids
Theoretical weight: 32.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P13569 (Residues: 389-678; Coverage: 20%)
Gene names: ABCC7, CFTR
Sequence domains: ABC transporter
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand ATP 1 x ATP
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P43212
Unit cell:
a: 101.456Å b: 101.456Å c: 58.335Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.195 0.239
Expression system: Escherichia coli BL21

Quick links

Citations

2 review citations

Molecular modelling and molecular dynamics of CFTR.
Callebaut et al. (2017)
1 more

3 mentions without citation

Recent Strategic Advances in CFTR Drug Discovery: An Overview.
Rusnati et al. (2020)
2 more