MolNFT v1 · #149110 · protein
GLUA2(FLOP) G724C ligand binding core dimer bound to ZK200775 at 2.50 ångström resolution
6FQJ · Glutamate receptor 2,GLUTAMATE receptor 2: “GLUA2(FLOP) G724C ligand binding core dimer bound to ZK200775 at 2.50 ångström resolution”. X-ray diffraction, 1 ligand (ZK1), 17 pockets (best druggability 0.85). MolNFT v1 #149110 on…
- PDB
- 6FQJ
- Type
- protein
- Length
- 2,073 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2,GLUTAMATE receptor 2
- UniProt
- P19491
- Ligands
- ZK1
- Pockets
- 17 · best druggability 0.85
Structure
x-ray diffraction · 5 distinct chains · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 261 | 38% helix, 21% strand | P19491 |
| B, E, F | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 258 | 40% helix, 22% strand | P19491 |
| C | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 259 | 38% helix, 22% strand | P19491 |
| D | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 259 | 37% helix, 24% strand | P19491 |
| G, H | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 260 | 38% helix, 21% strand | P19491 |
Ligands and binding sites
- ZK1 · {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid · ligand · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 785 | 0.85 | 0.88 | 91 | empty |
| 2 | 856 | 0.85 | 0.87 | 113 | empty |
| 3 | 1082 | 0.85 | 0.86 | 128 | ZK1 |
| 4 | 817 | 0.85 | 0.87 | 112 | ZK1 |
| 5 | 626 | 0.81 | 0.86 | 54 | empty |
Interfaces
16 interfaces between chains.
- D–F · 1288 Ų buried · 13 hydrogen bonds · protein-protein
- B–G · 1191 Ų buried · 10 hydrogen bonds · protein-protein
- C–E · 1167 Ų buried · 13 hydrogen bonds · protein-protein
- A–H · 1106 Ų buried · 11 hydrogen bonds · protein-protein
- B–F · 859 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 6FQJ · GluA2(flop) G724C ligand binding core dimer bound to ZK200775 at 2.50 Angstrom resolution · the same entry in another collection · chain F against F, 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 6FQJ · PDBe 6FQJ · UniProt P19491
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