Research workbench
The pentameric ligand-gated ion channel glic A237F in complex with rubidium
Analyse The pentameric ligand-gated ion channel glic A237F in complex with rubidium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ILB
- Type
- protein
- Length
- 1,555 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proton-gated ion channel
- UniProt
- Q7NDN8
- Ligands
- PLC, UNL, NA, RB, CL
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Proton-gated ion channel | protein | 311 | 37% helix, 34% strand | Q7NDN8 |
Ligands and binding sites
- PLC · Diundecyl phosphatidyl choline · ligand · 10 copies · chains A, B, C, D, E
- UNL · Unknown ligand · ligand · 10 copies · chains A, E, B, C, D
- NA · Sodium ion · metal · 6 copies · chains A, B, C, D, E
- RB · Rubidium ion · metal
- CL · Chloride ion · ion · 5 copies · chains A, B, C, D, E
- ACT · Acetate ion · additive · 10 copies · chains A, E, B, C, D
- LMT · Dodecyl-beta-D-maltoside · additive · 6 copies · chains A, B, C, D, 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 | 1028 | 0.83 | 0.84 | 54 | LMT, RB, NA |
| 2 | 414 | 0.72 | 0.83 | 48 | empty |
| 3 | 385 | 0.72 | 0.83 | 46 | empty |
| 4 | 365 | 0.71 | 0.83 | 48 | empty |
| 5 | 382 | 0.71 | 0.83 | 47 | empty |
Interfaces
5 interfaces between chains.
- B–C · 2363 Ų buried · 17 hydrogen bonds · protein-protein
- D–E · 2353 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 2332 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 2329 Ų buried · 20 hydrogen bonds · protein-protein
- A–E · 2310 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4ILB · The pentameric ligand-gated ion channel GLIC A237F in complex with Rubidium · the same entry in another collection · chain D against D, TM-score 1.00
- Q7NDN8 · AlphaFold monomer V2.0 prediction for proton-gated ion channel (Q7NDN8) · a predicted model of the same protein · 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 Q7NDN8
- Elsewhere: RCSB PDB 4ILB · PDBe 4ILB · UniProt Q7NDN8
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