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Leucine-zippered human insulin receptor ectodomain with single bound insulin - "upper" membrane-distal part

Analyse Leucine-zippered human insulin receptor ectodomain with single bound insulin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6HN5
Type
protein
Length
953 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Insulin; Insulin RECEPTOR,GENERAL control protein GCN4
EC
2.7.10.1
UniProt
P01308, P06213, P03069
Ligands
NAG
Pockets
13 · best druggability 0.86

Structure

electron microscopy · 4 distinct chains · 12% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AInsulinprotein2152% helix, 0% strandP01308
BInsulinprotein2524% helix, 0% strandP01308
EInsulin RECEPTOR,GENERAL control protein GCN4 (EC 2.7.10.1)protein5848% helix, 29% strandP06213, P03069
FInsulin RECEPTOR,GENERAL control protein GCN4 (EC 2.7.10.1)protein32316% helix, 27% strandP06213, P03069

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains E, A, B, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111940.860.87108empty
211430.720.7693empty
34060.640.7836empty
42230.490.7530empty
51210.480.8016empty

Interfaces

6 interfaces between chains.

  • E–F · 1801 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 620 Ų buried · 5 hydrogen bonds · protein-protein
  • B–F · 531 Ų buried · 5 hydrogen bonds · protein-protein
  • B–E · 477 Ų buried · 8 hydrogen bonds · protein-protein
  • A–F · 364 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 23 disulfide, 10 glycan (disulfide, N-glycosylation).

Compared structures

  • 6HN5 · Leucine-zippered human insulin receptor ectodomain with single bound insulin - "upper"… · the same entry in another collection · chain F against F, TM-score 1.00
  • P06213 · AlphaFold monomer V2.0 prediction for insulin receptor (P06213) · a predicted model of the same protein · chain F against A, TM-score 0.82
  • P03069 · AlphaFold monomer V2.0 prediction for general control transcription factor GCN4 (P03069) · a predicted model of the same protein · chain F against A, TM-score 0.18

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