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MolNFT v1 · #187554 · protein

TWIK1 in MSP1E3D1 lipid nanodisc at pH 5.5

7SK1 · Potassium channel subfamily K member 1: “TWIK1 in MSP1E3D1 lipid nanodisc at pH 5.5”. Electron microscopy, 2 ligands (C14, K), 9 pockets (best druggability 0.80). MolNFT v1 #187554 on GenesisL1: 3D structure, binding sites and…

PDB
7SK1
Type
protein
Length
524 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Potassium channel subfamily K member 1
UniProt
Q9Z2T2
Ligands
C14, K
Pockets
9 · best druggability 0.80

Structure

electron microscopy · 1 distinct chain · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPotassium channel subfamily K member 1protein26278% helix, 0% strandQ9Z2T2

Ligands and binding sites

  • C14 · Tetradecane · ligand · 2 copies · chains A, B
  • K · Potassium ion · metal · 3 copies · chains A, B
  • OCT · N-octane · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19390.800.8164C14
24420.710.8251empty
34320.700.8149empty
4880.430.7919empty
5990.420.7718empty

Interfaces

1 interface between chains.

  • A–B · 6078 Ų buried · 30 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 7SK1 · TWIK1 in MSP1E3D1 Lipid Nanodisc at pH 5.5 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Z2T2 · AlphaFold monomer V2.0 prediction for potassium channel subfamily K member 1 (Q9Z2T2) · a predicted model of the same protein · chain A against A, TM-score 0.95

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