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MolNFT v1 · #128093 · protein

Crystal structure of the GLUA2 ligand-binding domain (S1S2J) in complex with agonist cip-as at 1.15 a resolution.

5NG9 · Glutamate receptor 2: “Crystal structure of the GLUA2 ligand-binding domain (S1S2J) in complex with agonist cip-as at 1.15 a…”. X-ray diffraction, 4 ligands (8VN, 8WQ, LI), 2 pockets (best druggability 0.62). MolNFT v1 #128093 on…

PDB
5NG9
Type
protein
Length
263 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor 2
UniProt
P19491
Ligands
8VN, 8WQ, LI, SO4
Pockets
2 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor 2protein26338% helix, 21% strandP19491

Ligands and binding sites

  • 8VN · (3~{a}~{S},4~{S},6~{a}~{R})-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-3,4-dicarboxylic acid · ligand · chains A
  • 8WQ · (2~{S},3~{R},4~{R})-3-(carboxycarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid · ligand · chains A
  • LI · Lithium ion · metal · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • FLC · Citrate anion · additive · 2 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12600.620.81428VN, 8WQ, GOL
2870.340.7418empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5NG9 · Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with agonist… · the same entry in another collection · chain A against A, TM-score 1.00

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