MolNFT v1 · #168163 · protein
K2P2.1 (trek-1), 30 mm K+
6W7E · Potassium channel subfamily K member 2: “K2P2.1 (trek-1), 30 mm K+”. X-ray diffraction, 6 ligands (LNK, PIO, D12), 13 pockets (best druggability 0.71). MolNFT v1 #168163 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6W7E
- Type
- protein
- Length
- 520 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Potassium channel subfamily K member 2
- UniProt
- P97438
- Ligands
- LNK, PIO, D12, R16, CD, K
- Pockets
- 13 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Potassium channel subfamily K member 2 | protein | 252 | 80% helix, 0% strand | P97438 |
| B | Potassium channel subfamily K member 2 | protein | 268 | 75% helix, 0% strand | P97438 |
Ligands and binding sites
- LNK · Pentane · ligand · 2 copies · chains A, B
- PIO · [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2, 3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate · ligand · chains A
- D12 · Dodecane · ligand · chains B
- R16 · Hexadecane · ligand · chains A, B
- CD · Cadmium ion · metal · 4 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
- OCT · N-octane · additive · 3 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 718 | 0.71 | 0.77 | 67 | empty |
| 2 | 552 | 0.66 | 0.76 | 38 | empty |
| 3 | 63 | 0.63 | 0.92 | 21 | empty |
| 4 | 87 | 0.59 | 0.87 | 18 | empty |
| 5 | 190 | 0.52 | 0.77 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 4946 Ų buried · 47 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
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 P97438
- Elsewhere: RCSB PDB 6W7E · PDBe 6W7E · UniProt P97438
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