Research workbench
Crystal structure of a small conductance potassium channel splice variant complexed with calcium-calmodulin
Analyse Crystal structure of a small conductance potassium channel splice variant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SJQ
- Type
- protein
- Length
- 450 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin; Small conductance calcium-activated potassium channel protein 2
- UniProt
- P62161, P70604
- Ligands
- PHU, CA, SO4
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 4 distinct chains · 70% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin | protein | 147 | 63% helix, 5% strand | P62161 |
| B | Calmodulin | protein | 145 | 62% helix, 4% strand | P62161 |
| C | Small conductance calcium-activated potassium channel protein 2 | protein | 80 | 85% helix, 0% strand | P70604 |
| D | Small conductance calcium-activated potassium channel protein 2 | protein | 78 | 86% helix, 0% strand | P70604 |
Ligands and binding sites
- PHU · 1-phenylurea · ligand · 4 copies · chains A, C, B, D
- CA · Calcium ion · metal · 8 copies · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D
- GOL · Glycerol · additive · 6 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.67 | 0.94 | 16 | PHU |
| 2 | 65 | 0.66 | 0.93 | 16 | PHU |
| 3 | 89 | 0.33 | 0.73 | 14 | SO4 |
| 4 | 70 | 0.30 | 0.74 | 13 | SO4 |
Interfaces
5 interfaces between chains.
- A–D · 1052 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 1029 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 913 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 906 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 82 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3SJQ · Crystal structure of a small conductance potassium channel splice variant complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P70604 · AlphaFold monomer V2.0 prediction for small conductance calcium- activated potassium… · a predicted model of the same protein · chain D against A, TM-score 0.81
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 P62161
- Every structure of UniProt P70604
- Elsewhere: RCSB PDB 3SJQ · PDBe 3SJQ · UniProt P62161 · UniProt P70604
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