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Crystal structure of GPR52 in complex with agonist C17

Analyse Crystal structure of GPR52 in complex with agonist C17 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LI0
Type
protein
Length
441 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9Y2T5, P00323
Ligands
EN6, FMN

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein441—Q9Y2T5, P00323

Ligands and binding sites

  • EN6 · N-(2-hydroxyethyl)-5-(hydroxymethyl)-3-methyl-1-[2-[[3-(trifluoromethyl)phenyl]methyl]-1-benzothiophen-7-yl]pyrazole-4-carboxamide · ligand · chains A
  • FMN · Flavin mononucleotide · ligand · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 17 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 8 copies · chains A
  • FLC · Citrate anion · additive · chains A

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

Compared structures

  • 6LI0 · Crystal structure of GPR52 in complex with agonist c17 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Y2T5 · AlphaFold monomer V2.0 prediction for G-protein coupled receptor 52 (Q9Y2T5) · a predicted model of the same protein · chain A against A, TM-score 0.65
  • P00323 · AlphaFold monomer V2.0 prediction for flavodoxin (P00323) · a predicted model of the same protein · chain A against A, TM-score 0.33

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