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MolNFT v1 · #190642 · protein

Structural insights into human brain gut peptide cholecystokinin receptors

7XOX · GASTRIN/CHOLECYSTOKININ type B receptor: “Structural insights into human brain gut peptide cholecystokinin receptors”. Electron microscopy, 13 pockets (best druggability 0.82). MolNFT v1 #190642 on GenesisL1: 3D structure, binding…

PDB
7XOX
Type
protein
Length
1,122 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GASTRIN/CHOLECYSTOKININ type B receptor; Guanine nucleotide-binding protein…
UniProt
P32239, P62873, P59768, P50148
Pockets
13 · best druggability 0.82

Structure

electron microscopy · 6 distinct chains · 32% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
RGASTRIN/CHOLECYSTOKININ type B receptorprotein27679% helix, 0% strandP32239
BGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3387% helix, 47% strandP62873
CGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5149% helix, 0% strandP59768
ESCFV16protein2301% helix, 46% strand—
AGuanine nucleotide-binding protein G(Q) subunit alphaprotein21942% helix, 16% strandP50148
LCck-8protein80% helix, 0% strand—

Pockets

13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17930.820.8565empty
25560.630.7552empty
31600.570.8228empty
41730.530.7930empty
5920.490.8224empty

Interfaces

6 interfaces between chains.

  • B–C · 2021 Ų buried · 10 hydrogen bonds · protein-protein
  • B–A · 1283 Ų buried · 10 hydrogen bonds · protein-protein
  • R–A · 1075 Ų buried · 8 hydrogen bonds · protein-protein
  • R–L · 904 Ų buried · 11 hydrogen bonds · protein-protein
  • E–A · 580 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 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
  • 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 0.89
  • P50148 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(Q) subunit… · a predicted model of the same protein · chain A against A, TM-score 0.85

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