Research workbench
Crystal structure of the GLUR2 ligand binding core (S1S2J, flip variant) in the apo state
Analyse Crystal structure of the GLUR2 ligand binding core (S1S2J, flip variant) in the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4U2R
- Type
- protein
- Length
- 1,043 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- SO4
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Glutamate receptor 2 | protein | 263 | 38% helix, 20% strand | P19491 |
| A | Glutamate receptor 2 | protein | 259 | 38% helix, 20% strand | P19491 |
| C | Glutamate receptor 2 | protein | 260 | 38% helix, 20% strand | P19491 |
| D | Glutamate receptor 2 | protein | 261 | 38% helix, 21% strand | P19491 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1196 | 0.80 | 0.81 | 113 | empty |
| 2 | 1122 | 0.80 | 0.81 | 107 | SO4 |
| 3 | 646 | 0.67 | 0.76 | 49 | empty |
| 4 | 382 | 0.64 | 0.79 | 39 | empty |
| 5 | 223 | 0.63 | 0.82 | 34 | SO4 |
Interfaces
4 interfaces between chains.
- B–A · 911 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 875 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 486 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 371 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4U2R · Crystal structure of the GLUR2 ligand binding core (S1S2J, flip variant) in the apo state · 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 4U2R · PDBe 4U2R · UniProt P19491
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