Research workbench
Crystal structure of the AVGLUR1 ligand binding domain complex with phenylalanine at 1.9 ångström resolution
Analyse Crystal structure of the AVGLUR1 ligand binding domain complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IO7
- Type
- protein
- Length
- 490 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AVGLUR1 ligand binding domain
- UniProt
- E9P5T5
- Ligands
- PHE, CL
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AVGLUR1 ligand binding domain | protein | 244 | 35% helix, 27% strand | E9P5T5 |
| B | AVGLUR1 ligand binding domain | protein | 246 | 35% helix, 30% strand | E9P5T5 |
Ligands and binding sites
- PHE · Phenylalanine · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 104 | 0.76 | 0.97 | 23 | PHE |
| 2 | 93 | 0.76 | 0.97 | 22 | PHE |
| 3 | 241 | 0.75 | 0.89 | 43 | CL |
| 4 | 597 | 0.74 | 0.81 | 71 | CL |
| 5 | 114 | 0.45 | 0.78 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1226 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4IO7 · Crystal Structure of the AvGluR1 ligand binding domain complex with phenylalanine at 1.9… · the same entry in another collection · chain A against A, 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 E9P5T5
- Elsewhere: RCSB PDB 4IO7 · PDBe 4IO7 · UniProt E9P5T5
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