MolNFT v1 · #6999 · protein
Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with the antagonist dnqx at 1.8 a resolution
1FTL · Glutamate receptor subunit 2: “Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with the antagonist dnqx at 1.8 a…”. X-ray diffraction, 2 ligands (DNQ, SO4), 4 pockets (best druggability 0.76). MolNFT v1 #6999…
- PDB
- 1FTL
- Type
- protein
- Length
- 514 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor subunit 2
- UniProt
- P19491
- Ligands
- DNQ, SO4
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutamate receptor subunit 2 | protein | 257 | 39% helix, 20% strand | P19491 |
Ligands and binding sites
- DNQ · 6,7-dinitroquinoxaline-2,3-dione · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 686 | 0.76 | 0.82 | 81 | empty |
| 2 | 260 | 0.66 | 0.83 | 33 | DNQ |
| 3 | 224 | 0.65 | 0.83 | 31 | SO4, DNQ |
| 4 | 194 | 0.54 | 0.79 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 878 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1FTL · Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with the antagonist… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P19491
- Elsewhere: RCSB PDB 1FTL · PDBe 1FTL · UniProt P19491
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