MolNFT v1 · #54477 · protein
Pentameric ligand gated ion channel glic in complex with tetramethylarsonium (tmas)
2XQ4 · GLR4197 protein: “Pentameric ligand gated ion channel glic in complex with tetramethylarsonium (tmas)”. X-ray diffraction, 1 ligand (ARS), 20 pockets (best druggability 0.82). MolNFT v1 #54477 on GenesisL1: 3D structure, binding…
- PDB
- 2XQ4
- 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 0.82
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | GLR4197 protein | protein | 310 | 34% helix, 30% strand | Q7NDN8 |
Ligands and binding sites
- ARS · Arsenic · metal · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 956 | 0.82 | 0.83 | 53 | ARS |
| 2 | 575 | 0.71 | 0.80 | 67 | empty |
| 3 | 592 | 0.70 | 0.79 | 65 | empty |
| 4 | 371 | 0.70 | 0.82 | 45 | empty |
| 5 | 312 | 0.68 | 0.83 | 42 | empty |
Interfaces
9 interfaces between chains.
- A–B · 2507 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 2348 Ų buried · 13 hydrogen bonds · protein-protein
- D–E · 2337 Ų buried · 18 hydrogen bonds · protein-protein
- A–E · 1963 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 1889 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 2XQ4 · Pentameric ligand gated ion channel GLIC in complex with tetramethylarsonium (TMAs) · 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 2XQ4 · PDBe 2XQ4 · UniProt Q7NDN8
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