MolNFT v1 · #107195 · protein
Crystal structure of the GLUR2 ligand binding core (S1S2J, flip variant) in the apo state
4U2R · Glutamate receptor 2: “Crystal structure of the GLUR2 ligand binding core (S1S2J, flip variant) in the apo state”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.80). MolNFT v1 #107195 on GenesisL1: 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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