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Cryo-EM structure of the cholecystokinin receptor cckbr in complex with gastrin-17 and gi

Analyse Cryo-EM structure of the cholecystokinin receptor cckbr in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7F8V
Type
protein
Length
848 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein G(I) subunit alpha-2; Guanine nucleotide-binding…
UniProt
P04899, P62873, P59768, P32239
Pockets
5 · best druggability 0.81

Structure

electron microscopy · 5 distinct chains · 39% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein G(I) subunit alpha-2protein21743% helix, 17% strandP04899
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3060% helix, 48% strandP62873
CGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein3345% helix, 0% strandP59768
EGastrin-17protein170% helix, 0% strand—
RGASTRIN/CHOLECYSTOKININ type B receptorprotein27580% helix, 1% strandP32239

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16720.810.8570empty
29500.720.7669empty
32250.510.7627empty
4580.440.8211empty
51080.340.7319empty

Interfaces

5 interfaces between chains.

  • E–R · 1324 Ų buried · 20 hydrogen bonds · protein-protein
  • A–B · 1276 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 1157 Ų buried · 5 hydrogen bonds · protein-protein
  • A–R · 976 Ų buried · 5 hydrogen bonds · protein-protein
  • B–R · 31 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified, 1 disulfide (disulfide, cyclization, nonstandard).

Compared structures

  • 7F8V · Cryo-EM structure of the cholecystokinin receptor CCKBR in complex with gastrin-17 and Gi · the same entry in another collection · chain R against R, 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 0.99
  • P32239 · AlphaFold monomer V2.0 prediction for GASTRIN/CHOLECYSTOKININ type B receptor (P32239) · a predicted model of the same protein · chain R against A, TM-score 0.93
  • P04899 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.84
  • 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 C against A, TM-score 0.78

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