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Taspoglutide-bound glucagon-like peptide-1 (glp-1) receptor in complex with gs protein

Analyse Taspoglutide-bound glucagon-like peptide-1 (glp-1) receptor in complex with gs… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7KI1
Type
protein
Length
1,285 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(S) subunit alpha isoforms short; Guanine…
UniProt
P63092, P62873, P59768, P43220
Ligands
NH2
Pockets
12 · best druggability 0.82

Structure

electron microscopy · 6 distinct chains · 40% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(S) subunit alpha isoforms shortprotein34949% helix, 12% strandP63092
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3388% helix, 47% strandP62873
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5756% helix, 0% strandP59768
NNB35protein1267% helix, 45% strand—
RGlucagon-like peptide 1 receptorprotein38564% helix, 6% strandP43220
PTaspoglutideprotein3093% helix, 0% strand—

Ligands and binding sites

  • NH2 · Amino group · ion · chains R, P

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17030.820.8656empty
27510.770.8158empty
311040.760.7887empty
44780.740.8347empty
5890.730.9527empty

Interfaces

7 interfaces between chains.

  • B–G · 2181 Ų buried · 17 hydrogen bonds · protein-protein
  • R–P · 1869 Ų buried · 19 hydrogen bonds · protein-protein
  • A–B · 1486 Ų buried · 25 hydrogen bonds · protein-protein
  • A–R · 1130 Ų buried · 6 hydrogen bonds · protein-protein
  • A–N · 842 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 2 modified (disulfide, nonstandard).

Compared structures

  • 7KI1 · Taspoglutide-bound Glucagon-Like Peptide-1 (GLP-1) Receptor in Complex with Gs Protein · the same entry in another collection · chain P against P, TM-score 1.00
  • P62873 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain B against A, TM-score 1.00
  • P59768 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain G against A, TM-score 0.94
  • P43220 · AlphaFold monomer V2.0 prediction for glucagon-like peptide 1 receptor (P43220) · a predicted model of the same protein · chain R against A, TM-score 0.82

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