MolNFT v1 · #106995 · protein
Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)
4TWK · Potassium channel subfamily K member 2: “Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1)”. X-ray diffraction, 4 ligands (37X, NAG, K), 14 pockets (best druggability 0.72). MolNFT v1 #106995 on…
- PDB
- 4TWK
- Type
- protein
- Length
- 496 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Potassium channel subfamily K member 2
- UniProt
- O95069
- Ligands
- 37X, NAG, K, MG
- Pockets
- 14 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Potassium channel subfamily K member 2 | protein | 255 | 76% helix, 0% strand | O95069 |
| B | Potassium channel subfamily K member 2 | protein | 241 | 80% helix, 0% strand | O95069 |
Ligands and binding sites
- 37X · Octyl Glucose Neopentyl Glycol · ligand · 5 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains B
- K · Potassium ion · metal · 3 copies · chains A, B
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 682 | 0.72 | 0.78 | 58 | empty |
| 2 | 345 | 0.69 | 0.81 | 45 | MG |
| 3 | 611 | 0.68 | 0.77 | 41 | empty |
| 4 | 173 | 0.65 | 0.85 | 28 | 37X |
| 5 | 108 | 0.52 | 0.82 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 5768 Ų buried · 46 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 4TWK · Crystal structure of human two pore domain potassium ion channel TREK1 (K2P2.1) · the same entry in another collection · chain A against A, TM-score 1.00
- O95069 · AlphaFold monomer V2.0 prediction for potassium channel subfamily K member 2 (O95069) · a predicted model of the same protein · chain A against A, TM-score 0.90
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 O95069
- Elsewhere: RCSB PDB 4TWK · PDBe 4TWK · UniProt O95069
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