Research workbench
Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with fqx at 1.87 ångströms
Analyse Crystal structure of the GLUR2 ligand binding core (S1S2J) in complex with fqx… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BKI
- Type
- protein
- Length
- 1,028 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- FQX
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| P, B, C, D | Glutamate receptor 2 | protein | 257 | 38% helix, 20% strand | P19491 |
Ligands and binding sites
- FQX · [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide · ligand · 4 copies · chains P, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 984 | 0.81 | 0.82 | 117 | FQX |
| 2 | 268 | 0.64 | 0.82 | 36 | FQX |
| 3 | 293 | 0.64 | 0.81 | 35 | FQX |
| 4 | 310 | 0.62 | 0.79 | 40 | FQX |
| 5 | 303 | 0.61 | 0.79 | 30 | empty |
Interfaces
3 interfaces between chains.
- P–C · 989 Ų buried · 12 hydrogen bonds · protein-protein
- P–D · 467 Ų buried · 1 hydrogen bond · protein-protein
- P–B · 169 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3BKI · Crystal Structure of the GluR2 ligand binding core (S1S2J) in complex with FQX at 1.87… · the same entry in another collection · chain B against B, 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 3BKI · PDBe 3BKI · UniProt P19491
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.