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MolNFT v1 · #125124 · protein

Metabotropic glutamate receptor in complex with antagonist (1~{S}, 2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-BIS(FLUORANYL) PHENYL]SULFANYLMETHYL]-4-oxidanyl-BICYCLO[3.1.0]HEXANE-2,6- dicarboxylic acid

5KZQ · Metabotropic glutamate receptor 2: “Metabotropic glutamate receptor in complex with antagonist (1~{S}…”. X-ray diffraction, 2 ligands (6YS, NAG), 4 pockets (best druggability 0.58). MolNFT v1 #125124 on GenesisL1: 3D structure…

PDB
5KZQ
Type
protein
Length
503 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Metabotropic glutamate receptor 2
UniProt
Q14416
Ligands
6YS, NAG
Pockets
4 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMetabotropic glutamate receptor 2protein50331% helix, 21% strandQ14416

Ligands and binding sites

  • 6YS · (1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-azanyl-3-[[3,4-bis(fluoranyl)phenyl]sulfanylmethyl]-4-oxidanyl-bicyclo[3.1.0]hexane-2,6-dicarboxylic acid · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13740.580.76366YS
2910.570.8619empty
3680.440.8113empty
4920.390.7721empty

Modifications

Observed in the structure: 6 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 5KZQ · Metabotropic Glutamate Receptor in complex with antagonist… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q14416 · AlphaFold monomer V2.0 prediction for metabotropic glutamate receptor 2 (Q14416) · a predicted model of the same protein · chain A against A, TM-score 0.85

Analyse

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