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MolNFT v1 · #188630 · protein

Cryoem structure of the pancreatic ATP-sensitive potassium channel bound to ATP with KIR6.2-ctd in the down conformation

7U1E · ATP-sensitive inward rectifier potassium channel 11: “Cryoem structure of the pancreatic ATP-sensitive potassium channel bound to ATP with KIR6.2-ctd in the down…”. Electron microscopy, 2 ligands (ATP, NAG), 20 pockets (best…

PDB
7U1E
Type
protein
Length
2,741 residues
Chains
5
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
P70673, Q09427
Ligands
ATP, NAG
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 4 distinct chains · 52% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP-sensitive inward rectifier potassium channel 11protein32634% helix, 21% strandP70673
BATP-sensitive inward rectifier potassium channel 11protein32731% helix, 23% strandP70673
C, DATP-sensitive inward rectifier potassium channel 11protein32830% helix, 23% strandP70673
EATP-binding cassette sub-family C member 8protein143265% helix, 5% strandQ09427

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 5 copies · chains A, B, C, D, E
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains E

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
19130.880.90137empty
210040.880.89131empty
36390.860.9096empty
44890.840.9166empty
510530.840.85133empty

Interfaces

8 interfaces between chains.

  • A–D · 2584 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 2570 Ų buried · 17 hydrogen bonds · protein-protein
  • C–D · 2556 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 2407 Ų buried · 14 hydrogen bonds · protein-protein
  • A–E · 1289 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 7U1E · CryoEM structure of the pancreatic ATP-sensitive potassium channel bound to ATP with… · the same entry in another collection · chain E against E, TM-score 1.00
  • Q09427 · AlphaFold monomer V2.0 prediction for ATP-binding cassette sub-family C member 8 (Q09427) · a predicted model of the same protein · chain E against A, TM-score 0.98
  • P70673 · AlphaFold monomer V2.0 prediction for ATP-sensitive inward rectifier potassium channel 11… · a predicted model of the same protein · chain C against A, TM-score 0.89

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