› 5v03

X-ray diffraction
1.58Å resolution

A positive allosteric modulator binding pocket in SK2 ion channels is shared by Riluzole and CyPPA

Released:
DOI: 10.2210/pdb5v03/pdb
PDB entry 5v03 coloured by chain, front view.
PDB entry 5v03 coloured by chain, side view.
PDB entry 5v03 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
An Intracellular Allosteric Modulator Binding Pocket in SK2 Ion Channels Is Shared by Multiple Chemotypes.
Cho LT, Alexandrou AJ, Torella R, Knafels J, Hobbs J, Taylor T, Loucif A, Konopacka A, Bell S, Stevens EB, Pandit J, Horst R, Withka JM, Pryde DC, Liu S, Young GT
Structure 26 533-544.e3 (2018)
PMID: 29576321

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-143961 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Small conductance calcium-activated potassium channel protein 2 Chain: B
Molecule details ›
Chain: B
Length: 102 amino acids
Theoretical weight: 12.24 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli-Pichia pastoris shuttle vector pPpARG4
UniProt:
  • Canonical: Q9H2S1 (Residues: 393-393, 395-486; Coverage: 16%)
Gene name: KCNN2
Sequence domains: Calmodulin binding domain
Structure domains: Helix Hairpins
Calmodulin-1 Chain: R
Molecule details ›
Chain: R
Length: 149 amino acids
Theoretical weight: 16.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli-Pichia pastoris shuttle vector pPpARG4
UniProt:
  • Canonical: P0DP23 (Residues: 1-149; Coverage: 100%)
Gene names: CALM, CALM1, CAM, CAM1
Sequence domains: EF-hand domain pair

Ligands and Environments

3 bound ligands:
Ligand SO4 1 x SO4
Ligand 658 1 x 658
Ligand CA 2 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2
Unit cell:
a: 77.092Å b: 66.882Å c: 65.381Å
α: 90° β: 93.95° γ: 90°
R-values:
R R work R free
0.196 0.194 0.22
Expression system: Escherichia coli-Pichia pastoris shuttle vector pPpARG4

Quick links

Citations

4 review citations

Pharmacology of Small- and Intermediate-Conductance Calcium-Activated Potassium Channels.
Brown et al. (2020)
3 more

1 mention without citation

A Pilot Study of All-Computational Drug Design Protocol-From Structure Prediction to Interaction Analysis.
Wu et al. (2020)