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

Structure

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

Ligands and binding sites

• B7G · heptyl beta-D-glucopyranoside · ligand · 4 copies · chains A, B
• R16 · Hexadecane · ligand · 3 copies · chains A, B
• Q6F · N-[(2,4-dichlorophenyl)methyl]-4-[(methylsulfonyl) amino]benzamide · ligand · 2 copies · chains A, B
• IEP · [(2~{S})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R}, 3~{S},4~{S},5~{S},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] icosa-5,8,11,14-tetraenoate · ligand · 2 copies · chains A, B
• 11A · Undecanoic acid · ligand · 2 copies · chains A, B
• D12 · Dodecane · ligand · 2 copies · chains A, B
• LNK · Pentane · ligand · chains A, B
• K · Potassium ion · metal · 6 copies · chains A, B
• CD · Cadmium ion · metal · 3 copies · chains B
• OCT · N-octane · additive · 2 copies · chains B
• UND · Undecane · additive · 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 · 5416 Ų buried · 45 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

• 6W8C · K2P2.1 (TREK-1):ML335 complex, 1 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 0.95

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 6W8C · PDBe 6W8C · UniProt P97438