› 4r50

X-ray diffraction
2.85Å resolution

Crystal Structure of CNG mimicking NaK-ETPP mutant cocrystallized with Li+

Released:
DOI: 10.2210/pdb4r50/pdb
PDB entry 4r50 coloured by chain, front view.
PDB entry 4r50 coloured by chain, side view.
PDB entry 4r50 coloured by chain, top view.
Source organism: Bacillus cereus ATCC 14579
Primary publication:
A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Napolitano LM, Bisha I, De March M, Marchesi A, Arcangeletti M, Demitri N, Mazzolini M, Rodriguez A, Magistrato A, Onesti S, Laio A, Torre V
Proc Natl Acad Sci U S A 112 E3619-28 (2015)
PMID: 26100907

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
homo octamer
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182541 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Potassium channel domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 96 amino acids
Theoretical weight: 10.63 KDa
Source organism: Bacillus cereus ATCC 14579
Expression system: Escherichia coli
UniProt:
  • Canonical: Q81HW2 (Residues: 20-110; Coverage: 79%)
Gene name: BC_0669
Sequence domains: Ion channel
Structure domains: Helix Hairpins

Ligands and Environments

2 bound ligands:
Ligand MPD 1 x MPD
Ligand GLY 6 x GLY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: I4
Unit cell:
a: 67.57Å b: 67.57Å c: 88.53Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.131 0.125 0.183
Expression system: Escherichia coli

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Citations

3 review citations

Protein Ensembles: How Does Nature Harness Thermodynamic Fluctuations for Life? The Diverse Functional Roles of Conformational Ensembles in the Cell.
Wei et al. (2016)
2 more

1 mention without citation

A structural, functional, and computational analysis suggests pore flexibility as the base for the poor selectivity of CNG channels.
Napolitano et al. (2015)