MolNFT v1 · #54482 · protein
Pentameric ligand gated ion channel glic mutant E221A in complex with tetraethylarsonium (teas)
2XQ9 · GLR4197 protein: “Pentameric ligand gated ion channel glic mutant E221A in complex with tetraethylarsonium (teas)”. X-ray diffraction, 1 ligand (ARS), 20 pockets (best druggability 0.79). MolNFT v1 #54482 on GenesisL1: 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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