Research workbench
Pentameric ligand gated ion channel glic mutant E221A in complex with tetraethylarsonium (teas)
Analyse Pentameric ligand gated ion channel glic mutant E221A in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2XQ9
- Type
- protein
- Length
- 1,550 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GLR4197 protein
- UniProt
- Q7NDN8
- Ligands
- ARS
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | GLR4197 protein | protein | 310 | 36% helix, 31% strand | Q7NDN8 |
Ligands and binding sites
- ARS · Arsenic · metal · chains C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 945 | 0.79 | 0.80 | 50 | ARS |
| 2 | 552 | 0.70 | 0.79 | 62 | empty |
| 3 | 79 | 0.69 | 0.94 | 20 | empty |
| 4 | 76 | 0.69 | 0.95 | 17 | empty |
| 5 | 56 | 0.68 | 0.96 | 20 | empty |
Interfaces
7 interfaces between chains.
- A–B · 2445 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 2271 Ų buried · 15 hydrogen bonds · protein-protein
- D–E · 2268 Ų buried · 14 hydrogen bonds · protein-protein
- A–E · 1936 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 1909 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2XQ9 · Pentameric ligand gated ion channel GLIC mutant E221A in complex with tetraethylarsonium… · the same entry in another collection · chain E against E, TM-score 1.00
- Q7NDN8 · AlphaFold monomer V2.0 prediction for proton-gated ion channel (Q7NDN8) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 Q7NDN8
- Elsewhere: RCSB PDB 2XQ9 · PDBe 2XQ9 · UniProt Q7NDN8
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