Research workbench
Structural insights into the potency of SK/IK channel positive modulators
Analyse Structural insights into the potency of SK/IK channel positive modulators in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5WC5
- Type
- protein
- Length
- 241 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Small conductance calcium-activated potassium channel protein 2; Calmodulin-1
- UniProt
- Q9H2S1, P0DP23
- Ligands
- AJV, CA, SO4
- Pockets
- 1 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Small conductance calcium-activated potassium channel protein 2 | protein | 95 | 74% helix, 2% strand | Q9H2S1 |
| R | Calmodulin-1 | protein | 146 | 57% helix, 8% strand | P0DP23 |
Ligands and binding sites
- AJV · 7-fluoro-3-(hydroxyamino)-2H-indol-2-one · ligand · chains B, R
- CA · Calcium ion · metal · 2 copies · chains R
- SO4 · Sulfate ion · ion · 6 copies · chains B, R
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 150 | 0.69 | 0.88 | 27 | AJV |
Interfaces
1 interface between chains.
- B–R · 1392 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 5WC5 · Structural insights into the potency of SK/IK channel positive modulators · the same entry in another collection · chain B against B, TM-score 1.00
- Q9H2S1 · AlphaFold monomer V2.0 prediction for small conductance calcium- activated potassium… · a predicted model of the same protein · chain B against A, TM-score 0.66
- P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain R against A, TM-score 0.51
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9H2S1
- Every structure of UniProt P0DP23
- Elsewhere: RCSB PDB 5WC5 · PDBe 5WC5 · UniProt Q9H2S1 · UniProt P0DP23
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