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MolNFT v1 · #117469 · protein

Antibody-bound glucagon-like peptide-1 receptor extracellular domain

5E94 · Antibody Fab fragment light chain: “Antibody-bound glucagon-like peptide-1 receptor extracellular domain”. X-ray diffraction, 11 pockets (best druggability 0.52). MolNFT v1 #117469 on GenesisL1: 3D structure, binding sites and…

PDB
5E94
Type
protein
Length
1,086 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antibody Fab fragment light chain; Antibody Fab fragment heavy chain; Glucagon-like…
UniProt
P43220
Pockets
11 · best druggability 0.52

Structure

x-ray diffraction · 4 distinct chains · 13% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CAntibody Fab fragment light chainprotein2147% helix, 50% strand—
B, DAntibody Fab fragment heavy chainprotein2247% helix, 53% strand—
GGlucagon-like peptide 1 receptorprotein11027% helix, 18% strandP43220
HGlucagon-like peptide 1 receptorprotein10027% helix, 20% strandP43220

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13170.520.7444empty
21310.460.7719empty
3750.440.8116empty
4850.400.7817empty
5890.390.7717empty

Interfaces

7 interfaces between chains.

  • A–B · 2074 Ų buried · 14 hydrogen bonds · protein-protein
  • C–D · 1973 Ų buried · 13 hydrogen bonds · protein-protein
  • B–G · 859 Ų buried · 13 hydrogen bonds · protein-protein
  • D–H · 614 Ų buried · 12 hydrogen bonds · protein-protein
  • G–H · 562 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 15 disulfide (disulfide).

Compared structures

  • 5E94 · Antibody-bound Glucagon-like Peptide-1 receptor extracellular domain · the same entry in another collection · chain H against H, 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 H against A, TM-score 0.95

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