MolNFT v1 · #123259 · protein
Crystal structure of the GLUA2 lbd in complex with fw
5JEI · Glutamate receptor 2,GLUTAMATE receptor 2: “Crystal structure of the GLUA2 lbd in complex with fw”. X-ray diffraction, 5 ligands (ETE, FWD, TOE), 2 pockets (best druggability 0.47). MolNFT v1 #123259 on GenesisL1: 3D structure…
- PDB
- 5JEI
- Type
- protein
- Length
- 264 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2,GLUTAMATE receptor 2
- UniProt
- P19491
- Ligands
- ETE, FWD, TOE, NA, PO4
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 264 | 37% helix, 20% strand | P19491 |
Ligands and binding sites
- ETE · 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol · ligand · 2 copies · chains A
- FWD · 2-amino-3-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propionic acid · ligand · chains A
- TOE · 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl · ligand · chains A
- NA · Sodium ion · metal · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
- PG4 · Tetraethylene glycol · additive · 2 copies · chains A
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · chains A
- EDO · 1,2-ethanediol · additive · 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 | 120 | 0.47 | 0.79 | 20 | empty |
| 2 | 87 | 0.37 | 0.76 | 20 | EDO |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5JEI · Crystal structure of the GluA2 LBD in complex with FW · the same entry in another collection · chain A against A, TM-score 1.00
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 5JEI · PDBe 5JEI · UniProt P19491
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