› 5tgk

X-ray diffraction
1.91Å resolution

Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dATP

Released:
DOI: 10.2210/pdb5tgk/pdb
PDB entry 5tgk coloured by chain, front view.
PDB entry 5tgk coloured by chain, side view.
PDB entry 5tgk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator.
Wang C, Aleksandrov AA, Yang Z, Forouhar F, Proctor EA, Kota P, An J, Kaplan A, Khazanov N, Boël G, Stockwell BR, Senderowitz H, Dokholyan NV, Riordan JR, Brouillette CG, Hunt JF
J Biol Chem 293 17685-17704 (2018)
PMID: 29903914

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: 229 amino acids
Theoretical weight: 25.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: P13569 (Residues: 387-646; Coverage: 15%)
Gene names: ABCC7, CFTR
Sequence domains: ABC transporter
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL14-1
Spacegroup: P43
Unit cell:
a: 40.16Å b: 40.16Å c: 141.775Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.155 0.198
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'

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Citations

1 review citation

Recent Strategic Advances in CFTR Drug Discovery: An Overview.
Rusnati et al. (2020)
3 other articles

1 mention without citation

Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator.
Wang et al. (2018)