MolNFT v1 · #17708 · protein
Crystal structure of the GLUR2 ligand binding core (S1S2J) L650T mutant in complex with AMPA
1P1Q · Glutamate receptor 2: “Crystal structure of the GLUR2 ligand binding core (S1S2J) L650T mutant in complex with AMPA”. X-ray diffraction, 2 ligands (AMQ, ZN), 9 pockets (best druggability 0.80). MolNFT v1 #17708 on GenesisL1: 3D…
- PDB
- 1P1Q
- Type
- protein
- Length
- 775 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamate receptor 2
- UniProt
- P19491
- Ligands
- AMQ, ZN
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Glutamate receptor 2 | protein | 258 | 38% helix, 21% strand | P19491 |
| B | Glutamate receptor 2 | protein | 259 | 36% helix, 21% strand | P19491 |
Ligands and binding sites
- AMQ · (S)-alpha-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid · ligand · 3 copies · chains A, B, C
- ZN · Zinc ion · metal · 5 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1091 | 0.80 | 0.81 | 138 | empty |
| 2 | 72 | 0.75 | 0.98 | 19 | AMQ |
| 3 | 62 | 0.73 | 0.99 | 20 | AMQ |
| 4 | 64 | 0.70 | 0.97 | 20 | AMQ |
| 5 | 274 | 0.56 | 0.78 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–C · 936 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 294 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 26 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 1P1Q · Crystal structure of the GluR2 ligand binding core (S1S2J) L650T mutant in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P19491 · AlphaFold monomer V2.0 prediction for glutamate receptor 2 (P19491) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 1P1Q · PDBe 1P1Q · UniProt P19491
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