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Structure of pancreatic ATP-sensitive potassium channel bound with mg- ADP (ctd CLASS2 at 5.2A)

Analyse Structure of pancreatic ATP-sensitive potassium channel bound with mg- ADP (ctd… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5YWB
Type
protein
Length
6,588 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-sensitive inward rectifier potassium channel 11; ATP-binding cassette sub-family C…
UniProt
Q61743, A0A1U7R319
Ligands
ADP, MG
Pockets
20 · best druggability 0.89

Structure

electron microscopy · 2 distinct chains · 58% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, GATP-sensitive inward rectifier potassium channel 11protein32529% helix, 22% strandQ61743
B, D, F, HATP-binding cassette sub-family C member 8 isoform X2protein132266% helix, 7% strandA0A1U7R319

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 12 copies · chains A, G, B, C, D, E, F, H
  • MG · Magnesium ion · metal · 8 copies · chains B, D, F, H

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110070.890.90115ADP, MG
25060.870.9476empty
35120.870.9478empty
45080.870.9376empty
55070.870.9376empty

Interfaces

14 interfaces between chains.

  • A–G · 2813 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 2800 Ų buried · 13 hydrogen bonds · protein-protein
  • C–E · 2799 Ų buried · 13 hydrogen bonds · protein-protein
  • E–G · 2796 Ų buried · 13 hydrogen bonds · protein-protein
  • E–F · 841 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5YWB · Structure of pancreatic ATP-sensitive potassium channel bound with Mg-ADP (CTD class2 at… · the same entry in another collection · chain H against H, TM-score 1.00
  • Q61743 · AlphaFold monomer V2.0 prediction for ATP-sensitive inward rectifier potassium channel 11… · a predicted model of the same protein · chain A against A, TM-score 0.89

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