Research workbench
Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with quisqualate and CX614.
Analyse Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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