Research workbench
Crystal structure of the GLUR6 ligand binding domain dimer I442H K494E I749L Q753K mutant with glutamate and nacl at 1.37 ångström resolution
Analyse Crystal structure of the GLUR6 ligand binding domain dimer I442H K494E I749L… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3G3I
- Type
- protein
- Length
- 511 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor, ionotropic kainate 2
- UniProt
- P42260
- Ligands
- GLU, NA, CL
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamate receptor, ionotropic kainate 2 | protein | 256 | 39% helix, 22% strand | P42260 |
| B | Glutamate receptor, ionotropic kainate 2 | protein | 255 | 40% helix, 22% strand | P42260 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 3 copies · chains A, B
- CL · Chloride ion · ion · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 703 | 0.78 | 0.82 | 98 | empty |
| 2 | 52 | 0.70 | 0.98 | 20 | GLU |
| 3 | 93 | 0.41 | 0.77 | 17 | empty |
| 4 | 103 | 0.40 | 0.76 | 19 | empty |
| 5 | 51 | 0.38 | 0.80 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1131 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3G3I · Crystal structure of the GluR6 ligand binding domain dimer I442H K494E I749L Q753K mutant… · the same entry in another collection · chain A against A, TM-score 1.00
- P42260 · AlphaFold monomer V2.0 prediction for glutamate receptor ionotropic, kainate 2 (P42260) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P42260
- Elsewhere: RCSB PDB 3G3I · PDBe 3G3I · UniProt P42260
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