MolNFT v1 · #54483 · protein
Pentameric ligand gated ion channel glic in complex with tetrabutylantimony (tbsb)
2XQA · GLR4197 protein: “Pentameric ligand gated ion channel glic in complex with tetrabutylantimony (tbsb)”. X-ray diffraction, 1 ligand (SB), 20 pockets (best druggability 0.81). MolNFT v1 #54483 on GenesisL1: 3D structure, binding sites…
- PDB
- 2XQA
- 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
- SB
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | GLR4197 protein | protein | 310 | 34% helix, 31% strand | Q7NDN8 |
Ligands and binding sites
- SB · Antimony (III) ion · metal
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1006 | 0.81 | 0.82 | 53 | SB |
| 2 | 609 | 0.72 | 0.80 | 69 | empty |
| 3 | 621 | 0.71 | 0.79 | 67 | empty |
| 4 | 391 | 0.70 | 0.82 | 48 | empty |
| 5 | 342 | 0.69 | 0.83 | 50 | empty |
Interfaces
10 interfaces between chains.
- A–B · 2486 Ų buried · 26 hydrogen bonds · protein-protein
- C–D · 2319 Ų buried · 17 hydrogen bonds · protein-protein
- D–E · 2300 Ų buried · 17 hydrogen bonds · protein-protein
- A–E · 1913 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 1846 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2XQA · Pentameric ligand gated ion channel GLIC in complex with tetrabutylantimony (TBSb) · 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 2XQA · PDBe 2XQA · UniProt Q7NDN8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.