MolNFT v1 · #79780 · protein
Crystal structure of the GLUA2 ligand-binding domain (S1S2J-L483Y- N754S) in complex with glutamate and bpam-97 at 1.95 a resolution
3TDJ · Glutamate receptor 2: “Crystal structure of the GLUA2 ligand-binding domain (S1S2J-L483Y- N754S) in complex with glutamate and…”. X-ray diffraction, 4 ligands (GLU, 3TJ, CL), 5 pockets (best druggability 0.79). MolNFT v1 #79780 on…
- PDB
- 3TDJ
- Type
- protein
- Length
- 520 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- GLU, 3TJ, CL, SO4
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor 2 | protein | 260 | 38% helix, 22% strand | P19491 |
| B | Glutamate receptor 2 | protein | 260 | 39% helix, 20% strand | P19491 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · 2 copies · chains A, B
- 3TJ · 4-ethyl-7-fluoro-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 5 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 11 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 756 | 0.79 | 0.83 | 96 | GOL, 3TJ, SO4 |
| 2 | 53 | 0.71 | 0.98 | 18 | GLU |
| 3 | 299 | 0.62 | 0.80 | 30 | empty |
| 4 | 72 | 0.36 | 0.77 | 22 | empty |
| 5 | 79 | 0.35 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1041 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3TDJ · 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 B 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 3TDJ · PDBe 3TDJ · UniProt P19491
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.