MolNFT v1 · #149111 · protein
GLUA2(FLOP) S729C ligand binding core dimer bound to ZK200775 at 1.98 ångström resolution
6FQK · Glutamate receptor 2,GLUTAMATE receptor 2: “GLUA2(FLOP) S729C ligand binding core dimer bound to ZK200775 at 1.98 ångström resolution”. X-ray diffraction, 1 ligand (ZK1), 4 pockets (best druggability 0.77). MolNFT v1 #149111 on…
- PDB
- 6FQK
- Type
- protein
- Length
- 517 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2,GLUTAMATE receptor 2
- UniProt
- P19491
- Ligands
- ZK1
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 259 | 38% helix, 23% strand | P19491 |
| B | Glutamate receptor 2,GLUTAMATE receptor 2 | protein | 258 | 38% helix, 24% 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 · 2 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 875 | 0.77 | 0.80 | 81 | empty |
| 2 | 216 | 0.60 | 0.81 | 35 | empty |
| 3 | 170 | 0.57 | 0.81 | 22 | ZK1 |
| 4 | 189 | 0.55 | 0.79 | 25 | ZK1 |
Interfaces
1 interface between chains.
- A–B · 844 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 6FQK · GluA2(flop) S729C ligand binding core dimer bound to ZK200775 at 1.98 Angstrom resolution · 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 6FQK · PDBe 6FQK · UniProt P19491
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