MolNFT v1 · #21424 · protein
Crystal structure of the GLUR6 ligand binding core in complex with quisqualate at 1.8A resolution
1S9T · Glutamate receptor, ionotropic kainate 2: “Crystal structure of the GLUR6 ligand binding core in complex with quisqualate at 1.8A resolution”. X-ray diffraction, 2 ligands (QUS, CL), 6 pockets (best druggability 0.81). MolNFT v1…
- PDB
- 1S9T
- Type
- protein
- Length
- 502 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor, ionotropic kainate 2
- UniProt
- P42260
- Ligands
- QUS, CL
- Pockets
- 6 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutamate receptor, ionotropic kainate 2 | protein | 251 | 40% helix, 22% strand | P42260 |
Ligands and binding sites
- QUS · (S)-2-amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1150 | 0.81 | 0.82 | 96 | empty |
| 2 | 127 | 0.42 | 0.75 | 23 | empty |
| 3 | 108 | 0.41 | 0.76 | 26 | empty |
| 4 | 87 | 0.38 | 0.76 | 26 | empty |
| 5 | 83 | 0.35 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 610 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1S9T · Crystal structure of the GLUR6 ligand binding core in complex with quisqualate at 1.8A… · the same entry in another collection · chain A against A, TM-score 1.00
- P42260 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, kainate 2 (P42260) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P42260
- Elsewhere: RCSB PDB 1S9T · PDBe 1S9T · UniProt P42260
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