MolNFT v1 · #145510 · protein
K2P2.1(TREK-1):ML402 complex
6CQ9 · Potassium channel subfamily K member 2: “K2P2.1(TREK-1):ML402 complex”. X-ray diffraction, 5 ligands (R16, Q5F, 16C), 16 pockets (best druggability 0.78). MolNFT v1 #145510 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6CQ9
- Type
- protein
- Length
- 558 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
- R16, Q5F, 16C, K, CD
- Pockets
- 16 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Potassium channel subfamily K member 2 | protein | 276 | 78% helix, 0% strand | P97438 |
| B | Potassium channel subfamily K member 2 | protein | 282 | 73% helix, 0% strand | P97438 |
Ligands and binding sites
- R16 · Hexadecane · ligand · 10 copies · chains A, B
- Q5F · N-[2-(4-chloro-2-methylphenoxy)ethyl]thiophene-2-carboxamide · ligand · 2 copies · chains A, B
- 16C · N-((E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide · ligand · chains A, B
- K · Potassium ion · metal · 5 copies · chains A, B
- CD · Cadmium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1001 | 0.78 | 0.80 | 107 | Q5F |
| 2 | 234 | 0.69 | 0.84 | 36 | Q5F |
| 3 | 572 | 0.67 | 0.77 | 38 | K |
| 4 | 113 | 0.58 | 0.84 | 24 | empty |
| 5 | 83 | 0.49 | 0.83 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 4999 Ų buried · 48 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 6CQ9 · PDBe 6CQ9 · UniProt P97438
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