MolNFT v1 · #73590 · protein
Ligand-binding domain of GLUA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator
3O6I · Glutamate receptor 2: “Ligand-binding domain of GLUA2 (flip) ionotropic glutamate receptor in complex with an allosteric modulator”. X-ray diffraction, 3 ligands (GLU, O26, SO4), 2 pockets (best druggability 0.46). MolNFT v1 #73590…
- PDB
- 3O6I
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- GLU, O26, SO4
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor 2 | protein | 263 | 38% helix, 21% strand | P19491 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · chains A
- O26 · 2-[({3-tert-butyl-4-[(methylamino)methyl]-1H-pyrazol-1-yl}acetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide · ligand · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 147 | 0.46 | 0.77 | 25 | SO4 |
| 2 | 109 | 0.39 | 0.75 | 27 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3O6I · Ligand-binding domain of GluA2 (flip) ionotropic glutamate receptor in complex with an… · 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 0.97
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 3O6I · PDBe 3O6I · UniProt P19491
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