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Crystal structure of the ligand-bound glucagon-like peptide-1 receptor extracellular domain

Analyse Crystal structure of the ligand-bound glucagon-like peptide-1 receptor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3C59
Type
protein
Length
130 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glucagon-like peptide 1 receptor; Exendin-4
UniProt
P43220, P26349
Ligands
10M
Pockets
1 · best druggability 0.28

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlucagon-like peptide 1 receptorprotein10326% helix, 19% strandP43220
BExendin-4protein2767% helix, 0% strandP26349

Ligands and binding sites

  • 10M · decyl 4-O-alpha-D-glucopyranosyl-1-thio-beta-D-glucopyranoside · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1650.280.7415empty

Interfaces

1 interface between chains.

  • A–B · 698 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 2 modified (disulfide, engineered).

Compared structures

  • 3C59 · Crystal structure of the ligand-bound glucagon-like peptide-1 receptor extracellular… · the same entry in another collection · chain A against A, TM-score 1.00
  • P43220 · AlphaFold monomer V2.0 prediction for glucagon-like peptide 1 receptor (P43220) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • P26349 · AlphaFold monomer V2.0 prediction for exendin-4 (P26349) · a predicted model of the same protein · chain B against A, TM-score 0.80

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