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Crystal structure of human G protein coupled receptor

Analyse Crystal structure of human G protein coupled receptor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5ZTY
Type
protein
Length
449 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
G protein coupled RECEPTOR,T4 LYSOZYME,G protein coupled receptor
EC
3.2.1.17
UniProt
P34972, D9IEF7
Ligands
9JU, OLA, SO4
Pockets
4 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 75% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AG protein coupled RECEPTOR,T4 LYSOZYME,G protein coupled receptor (EC 3.2.1.17)protein44975% helix, 4% strandP34972, D9IEF7

Ligands and binding sites

  • 9JU · N-(adamantan-1-yl)-1-(5-hydroxypentyl)-4-methyl-5-phenyl-1H-pyrazole-3-carboxamide · ligand · chains A
  • OLA · Oleic acid · ligand · chains A
  • SO4 · Sulfate ion · ion · 5 copies · chains A
  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 3 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A
  • PG4 · Tetraethylene glycol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14310.870.94509JU
21590.400.7321PEG
3660.350.7615empty
4790.340.7516empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5ZTY · Crystal structure of human G protein coupled receptor · the same entry in another collection · chain A against A, TM-score 1.00
  • P34972 · AlphaFold monomer V2.0 prediction for cannabinoid receptor 2 (P34972) · a predicted model of the same protein · chain A against A, TM-score 0.65

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