MolNFT v1 · #67420 · protein
Crystal structure of the AMPA subunit GLUR2 bound to the allosteric modulator, hydrochlorothiazide
3IJX · Glutamate receptor 2: “Crystal structure of the AMPA subunit GLUR2 bound to the allosteric modulator, hydrochlorothiazide”. X-ray diffraction, 3 ligands (GLU, HCZ, ZN), 7 pockets (best druggability 0.80). MolNFT v1 #67420 on…
- PDB
- 3IJX
- 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, HCZ, ZN
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, D, H | Glutamate receptor 2 | protein | 258 | 36% helix, 24% strand | P19491 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · 3 copies · chains B, D, H
- HCZ · 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide · ligand · 3 copies · chains B, D, H
- ZN · Zinc ion · metal · 5 copies · chains B, D, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 734 | 0.80 | 0.83 | 90 | HCZ |
| 2 | 485 | 0.64 | 0.77 | 58 | ZN |
| 3 | 252 | 0.55 | 0.78 | 26 | empty |
| 4 | 105 | 0.41 | 0.77 | 17 | empty |
| 5 | 68 | 0.38 | 0.78 | 23 | empty |
Interfaces
3 interfaces between chains.
- B–D · 885 Ų buried · 6 hydrogen bonds · protein-protein
- B–H · 237 Ų buried · 6 hydrogen bonds · protein-protein
- D–H · 70 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3IJX · Crystal structure of the AMPA subunit GluR2 bound to the allosteric modulator… · the same entry in another collection · chain B against B, 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 3IJX · PDBe 3IJX · UniProt P19491
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