MolNFT v1 · #95702 · protein
Crystal structure of the GLUA2 ligand-binding domain (S1S2J-L483Y- N754S) in complex with glutamate and CX516 at 2.0 a resolution
4IY5 · Glutamate receptor 2: “Crystal structure of the GLUA2 ligand-binding domain (S1S2J-L483Y- N754S) in complex with glutamate and CX516…”. X-ray diffraction, 4 ligands (GLU, CX5, SO4), 4 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 4IY5
- Type
- protein
- Length
- 526 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- GLU, CX5, SO4, CL
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutamate receptor 2 | protein | 263 | 38% helix, 20% strand | P19491 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · 2 copies · chains A, B
- CX5 · piperidin-1-yl(quinoxalin-6-yl)methanone · ligand · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 842 | 0.79 | 0.82 | 103 | SO4, CX5 |
| 2 | 292 | 0.62 | 0.80 | 33 | empty |
| 3 | 88 | 0.36 | 0.75 | 25 | empty |
| 4 | 72 | 0.35 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 911 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4IY5 · Crystal structure of the glua2 ligand-binding domain (S1S2J-L483Y-N754S) in complex with… · 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 4IY5 · PDBe 4IY5 · UniProt P19491
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