MolNFT v1 · #13432 · protein
Crystal structure of GLUR2 ligand binding core (S1S2J- N775S) in complex with cyclothiazide (ctz) as well as glutamate at 1.8 a resolution
1LBC · Glutamine receptor 2: “Crystal structure of GLUR2 ligand binding core (S1S2J- N775S) in complex with cyclothiazide (ctz) as well as…”. X-ray diffraction, 3 ligands (GLU, CYZ, ZN), 5 pockets (best druggability 0.79). MolNFT v1 #13432…
- PDB
- 1LBC
- Type
- protein
- Length
- 777 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamine receptor 2
- UniProt
- P19491
- Ligands
- GLU, CYZ, ZN
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamine receptor 2 | protein | 259 | 37% helix, 21% strand | P19491 |
| B | Glutamine receptor 2 | protein | 260 | 37% helix, 21% strand | P19491 |
| C | Glutamine receptor 2 | protein | 258 | 38% helix, 21% strand | P19491 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · 3 copies · chains A, B, C
- CYZ · Cyclothiazide · ligand · 3 copies · chains A, C, B
- 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
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 734 | 0.79 | 0.83 | 97 | CYZ |
| 2 | 505 | 0.66 | 0.77 | 60 | ZN |
| 3 | 279 | 0.58 | 0.78 | 27 | empty |
| 4 | 78 | 0.35 | 0.75 | 21 | empty |
| 5 | 71 | 0.31 | 0.74 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–C · 759 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 254 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 29 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 1LBC · Crystal structure of GluR2 ligand binding core (S1S2J-N775S) 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 0.98
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 1LBC · PDBe 1LBC · UniProt P19491
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