MolNFT v1 · #67411 · protein
Crystal structure of the AMPA subunit GLUR2 bound to the allosteric modulator, althiazide
3IJO · Glutamate receptor 2: “Crystal structure of the AMPA subunit GLUR2 bound to the allosteric modulator, althiazide”. X-ray diffraction, 3 ligands (GLU, B4D, ZN), 12 pockets (best druggability 0.81). MolNFT v1 #67411 on GenesisL1: 3D…
- PDB
- 3IJO
- Type
- protein
- Length
- 774 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- GLU, B4D, ZN
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, E, H | Glutamate receptor 2 | protein | 258 | 38% helix, 21% strand | P19491 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · 3 copies · chains B, E, H
- B4D · (3S)-6-chloro-3-[(prop-2-en-1-ylsulfanyl)methyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide · ligand · 3 copies · chains B, E, H
- ZN · Zinc ion · metal · 5 copies · chains E, B, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 776 | 0.81 | 0.84 | 99 | B4D |
| 2 | 50 | 0.69 | 0.98 | 19 | GLU |
| 3 | 50 | 0.68 | 0.98 | 17 | GLU |
| 4 | 280 | 0.59 | 0.79 | 32 | empty |
| 5 | 70 | 0.39 | 0.79 | 18 | empty |
Interfaces
3 interfaces between chains.
- B–E · 721 Ų buried · 8 hydrogen bonds · protein-protein
- B–H · 226 Ų buried · 5 hydrogen bonds · protein-protein
- E–H · 64 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3IJO · Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator, althiazide · the same entry in another collection · chain E against E, TM-score 1.00
- P19491 · AlphaFold monomer V2.0 prediction for glutamate receptor 2 (P19491) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 3IJO · PDBe 3IJO · UniProt P19491
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