Research workbench
Isolated ligand binding domain dimer of GLUA2 ionotropic glutamate receptor in complex with glutamate, ly 404187 and zk 200775
Analyse Isolated ligand binding domain dimer of GLUA2 ionotropic glutamate receptor in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3KGC
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- GLU, LY7, ZK1, SO4
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor 2 | protein | 257 | 37% helix, 21% strand | P19491 |
| B | Glutamate receptor 2 | protein | 259 | 38% helix, 23% strand | P19491 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · chains A
- LY7 · N-[(2S)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide · ligand · chains A, B
- ZK1 · {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid · ligand · chains B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1063 | 0.78 | 0.80 | 126 | SO4, LY7, ZK1 |
| 2 | 259 | 0.58 | 0.79 | 30 | empty |
| 3 | 71 | 0.29 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 901 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3KGC · Isolated ligand binding domain dimer of GluA2 ionotropic glutamate receptor in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P19491 · AlphaFold monomer V2.0 prediction for glutamate receptor 2 (P19491) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 3KGC · PDBe 3KGC · UniProt P19491
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