MolNFT v1 · #64446 · protein
Crystal structure of the GLUR6 ligand binding domain dimer K665R I749L Q753K mutant with glutamate and nacl at 1.5 ångström resolution
3G3H · Glutamate receptor, ionotropic kainate 2: “Crystal structure of the GLUR6 ligand binding domain dimer K665R I749L Q753K mutant with glutamate and nacl…”. X-ray diffraction, 3 ligands (GLU, NA, CL), 6 pockets (best druggability…
- PDB
- 3G3H
- Type
- protein
- Length
- 505 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
- 6 · best druggability 0.70
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 | 252 | 40% helix, 22% strand | P42260 |
| B | Glutamate receptor, ionotropic kainate 2 | protein | 253 | 40% helix, 21% 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 · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 61 | 0.70 | 0.96 | 19 | empty |
| 2 | 486 | 0.68 | 0.79 | 63 | empty |
| 3 | 57 | 0.68 | 0.96 | 14 | empty |
| 4 | 86 | 0.40 | 0.77 | 17 | empty |
| 5 | 67 | 0.36 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1085 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3G3H · Crystal structure of the GluR6 ligand binding domain dimer K665R I749L Q753K mutant with… · 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 3G3H · PDBe 3G3H · UniProt P42260
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