Emodepside-bound drosophila slo channel

Structure

electron microscopy · 1 distinct chain · 48% helix, 14% strand (DSSP).

Ligands and binding sites

• 6PL · (4S,7R)-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(palmitoyloxy)methyl]-3,5,8-trioxa-4-phosphahexacosan-1-aminium 4-oxide · ligand · 16 copies · chains A, D, C, B
• CLR · Cholesterol · ligand · 4 copies · chains A, B, C, D
• 8I2 · (3~{S},6~{R},9~{S},12~{R},15~{S},18~{R},21~{S},24~{R})-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis[(4-morpholin-4-ylphenyl) methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone · ligand · chains A, B, C, D
• CA · Calcium ion · metal · 8 copies · chains A, C, B, D
• K · Potassium ion · metal · 6 copies · chains A, B, C, D
• MG · Magnesium ion · metal · 4 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• A–D · 2335 Ų buried · 16 hydrogen bonds · protein-protein
• B–C · 2317 Ų buried · 15 hydrogen bonds · protein-protein
• B–D · 2233 Ų buried · 19 hydrogen bonds · protein-protein
• A–C · 2192 Ų buried · 18 hydrogen bonds · protein-protein
• A–B · 33 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

• 7PXH · Emodepside-bound Drosophila Slo channel · the same entry in another collection · chain A against A, TM-score 1.00
• Q03720 · AlphaFold monomer V2.0 prediction for calcium-activated potassium channel slowpoke… · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q03720
• Elsewhere: RCSB PDB 7PXH · PDBe 7PXH · UniProt Q03720