MolNFT v1 · #15307 · protein
X-ray structure of the GLUR2 ligand-binding core (S1S2J) in complex with the antagonist (S)-atpo at 2.1 a resolution.
1N0T · Glutamate receptor 2: “X-ray structure of the GLUR2 ligand-binding core (S1S2J) in complex with the antagonist (S)-atpo at 2.1 a…”. X-ray diffraction, 2 ligands (AT1, SO4), 6 pockets (best druggability 0.83). MolNFT v1 #15307 on…
- PDB
- 1N0T
- Type
- protein
- Length
- 1,028 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- AT1, SO4
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Glutamate receptor 2 | protein | 257 | 38% helix, 21% strand | P19491 |
Ligands and binding sites
- AT1 · (S)-2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 4 copies · chains B, C, D
- ACT · Acetate ion · additive · chains D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1112 | 0.83 | 0.84 | 136 | AT1, SO4 |
| 2 | 1146 | 0.82 | 0.83 | 130 | AT1, ACT |
| 3 | 486 | 0.69 | 0.80 | 53 | empty |
| 4 | 387 | 0.59 | 0.76 | 45 | empty |
| 5 | 227 | 0.59 | 0.80 | 31 | empty |
Interfaces
4 interfaces between chains.
- A–C · 953 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 909 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 444 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 219 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 1N0T · X-ray structure of the GluR2 ligand-binding core (S1S2J) in complex with the antagonist… · the same entry in another collection · chain C against C, 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 1N0T · PDBe 1N0T · UniProt P19491
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