MolNFT v1 · #31145 · protein
Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with quisqualate and CX614.
2AL4 · Glutamate receptor 2: “Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with quisqualate and CX614.”. X-ray diffraction, 3 ligands (QUS, CX6, ZN), 13 pockets (best druggability 0.80). MolNFT v1 #31145 on…
- PDB
- 2AL4
- Type
- protein
- Length
- 1,550 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- QUS, CX6, ZN
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, F | Glutamate receptor 2 | protein | 258 | 38% helix, 21% strand | P19491 |
| B, E | Glutamate receptor 2 | protein | 259 | 36% helix, 21% strand | P19491 |
Ligands and binding sites
- QUS · (S)-2-amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid · ligand · 6 copies · chains A, B, C, D, E, F
- CX6 · 2,3,6A,7,8,9-hexahydro-11H-[1,4]dioxino[2,3-g]pyrrolo[2,1-b][1,3]benzoxazin-11-one · ligand · 3 copies · chains A, C, B, E, D, F
- ZN · Zinc ion · metal · 10 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1151 | 0.80 | 0.81 | 141 | CX6 |
| 2 | 1083 | 0.80 | 0.81 | 129 | CX6 |
| 3 | 810 | 0.78 | 0.82 | 100 | CX6 |
| 4 | 272 | 0.58 | 0.78 | 30 | empty |
| 5 | 273 | 0.58 | 0.78 | 30 | empty |
Interfaces
7 interfaces between chains.
- B–E · 854 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 834 Ų buried · 10 hydrogen bonds · protein-protein
- D–F · 834 Ų buried · 10 hydrogen bonds · protein-protein
- D–E · 287 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 284 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 2AL4 · CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH quisqualate… · 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 2AL4 · PDBe 2AL4 · UniProt P19491
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