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Cytoplasmic domain structure of KIR2.1 containing ANDERSEN'S mutation R218Q and rescue mutation T309K

Analyse Cytoplasmic domain structure of KIR2.1 containing ANDERSEN'S mutation R218Q and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2GIX
Type
protein
Length
818 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Inward rectifier potassium channel 2
UniProt
P35561
Ligands
K
Pockets
19 · best druggability 0.85

Structure

x-ray diffraction · 3 distinct chains · 10% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CInward rectifier potassium channel 2protein20613% helix, 45% strandP35561
BInward rectifier potassium channel 2protein2018% helix, 43% strandP35561
DInward rectifier potassium channel 2protein20510% helix, 44% strandP35561

Ligands and binding sites

  • K · Potassium ion · metal
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A, D, B, C

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

Pockets

19 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19230.850.8755K
24290.730.8349empty
34330.720.8242empty
44500.720.8256empty
54350.720.8243empty

Interfaces

5 interfaces between chains.

  • B–C · 1802 Ų buried · 39 hydrogen bonds · protein-protein
  • A–B · 1768 Ų buried · 39 hydrogen bonds · protein-protein
  • A–D · 1750 Ų buried · 37 hydrogen bonds · protein-protein
  • C–D · 1733 Ų buried · 41 hydrogen bonds · protein-protein
  • B–D · 57 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 2GIX · Cytoplasmic Domain Structure of Kir2.1 containing Andersen's Mutation R218Q and Rescue… · the same entry in another collection · chain A against A, TM-score 1.00
  • P35561 · AlphaFold monomer V2.0 prediction for inward rectifier potassium channel 2 (P35561) · a predicted model of the same protein · chain A against A, TM-score 0.86

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