Research workbench
Aniracetam bound to the ligand binding domain of GLUA3
Analyse Aniracetam bound to the ligand binding domain of GLUA3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3LSW
- Type
- protein
- Length
- 258 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GLUA2 S1S2 domain
- UniProt
- P19492, Q9Z2W9
- Ligands
- GLU, 4MP, ZN
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | GLUA2 S1S2 domain | protein | 258 | 38% helix, 22% strand | P19492, Q9Z2W9 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · chains A
- 4MP · 1-(4-methoxybenzoyl)-2-pyrrolidinone · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 117 | 0.45 | 0.78 | 23 | empty |
| 2 | 93 | 0.37 | 0.76 | 18 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3LSW · Aniracetam bound to the ligand binding domain of GluA3 · the same entry in another collection · chain A against A, TM-score 1.00
- P19492 · AlphaFold monomer V2.0 prediction for glutamate receptor 3 (P19492) · a predicted model of the same protein · chain A against A, TM-score 0.95
- Q9Z2W9 · AlphaFold monomer V2.0 prediction for glutamate receptor 3 (Q9Z2W9) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P19492
- Every structure of UniProt Q9Z2W9
- Elsewhere: RCSB PDB 3LSW · PDBe 3LSW · UniProt P19492 · UniProt Q9Z2W9
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