K2P2.1 (trek-1):ML335 complex, 10 mm K+

Structure

x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).

Ligands and binding sites

• R16 · Hexadecane · ligand · 9 copies · chains A, B
• Q6F · N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl) amino]benzamide · ligand · 2 copies · chains A, B
• 16C · N-((E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl)palmitamide · ligand · chains A, B
• LNK · Pentane · ligand · chains A
• D12 · Dodecane · ligand · chains B
• K · Potassium ion · metal · 5 copies · chains A, B
• CD · Cadmium ion · metal · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

15 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 5186 Ų buried · 50 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 6W8A · K2P2.1 (TREK-1):ML335 complex, 10 mM K+ · the same entry in another collection · chain A against A, TM-score 1.00
• P97438 · AlphaFold monomer V2.0 prediction for potassium channel subfamily K member 2 (P97438) · a predicted model of the same protein · chain B against A, TM-score 0.94

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 6W8A · PDBe 6W8A · UniProt P97438