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MolNFT v1 · #149108 · protein

GLUA2(FLOP) S729C ligand binding core dimer bound to nbqx at 1.76 ångström resolution

6FQH · Glutamate receptor 2,GLUTAMATE receptor 2: “GLUA2(FLOP) S729C ligand binding core dimer bound to nbqx at 1.76 ångström resolution”. X-ray diffraction, 1 ligand (E2Q), 5 pockets (best druggability 0.75). MolNFT v1 #149108 on…

PDB
6FQH
Type
protein
Length
517 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutamate receptor 2,GLUTAMATE receptor 2
UniProt
P19491
Ligands
E2Q
Pockets
5 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutamate receptor 2,GLUTAMATE receptor 2protein25938% helix, 21% strandP19491
BGlutamate receptor 2,GLUTAMATE receptor 2protein25838% helix, 23% strandP19491

Ligands and binding sites

  • E2Q · 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide · ligand · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11600.750.9226empty
29870.740.7778empty
32120.600.8141empty
42280.530.7730E2Q
51590.530.8021E2Q

Interfaces

1 interface between chains.

  • A–B · 977 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 6FQH · GluA2(flop) S729C ligand binding core dimer bound to NBQX at 1.76 Angstrom resolution · the same entry in another collection · chain A against A, TM-score 1.00

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