MolNFT v1 · #81555 · protein
The glic pentameric ligand-gated ion channel LOOP2-21' mutant reduced in solution
3UUB · GLR4197 protein: “The glic pentameric ligand-gated ion channel LOOP2-21' mutant reduced in solution”. X-ray diffraction, 3 ligands (PLC, NA, CL), 20 pockets (best druggability 0.82). MolNFT v1 #81555 on GenesisL1: 3D structure…
- PDB
- 3UUB
- Type
- protein
- Length
- 3,110 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GLR4197 protein
- UniProt
- Q7NDN8
- Ligands
- PLC, NA, CL
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J | GLR4197 protein | protein | 311 | 38% helix, 34% strand | Q7NDN8 |
Ligands and binding sites
- PLC · Diundecyl phosphatidyl choline · ligand · 30 copies · chains A, E, B, C, D, F, G, H, I, J
- NA · Sodium ion · metal · 2 copies · chains A, B, C, D, E, F, G, H, I, J
- CL · Chloride ion · ion · 10 copies · chains A, B, C, D, E, F, G, H, I, J
- LMT · Dodecyl-beta-D-maltoside · additive · 12 copies · chains A, E, B, C, D, F, J, G, H, I
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 | 1093 | 0.82 | 0.82 | 62 | LMT, NA |
| 2 | 1110 | 0.82 | 0.82 | 61 | LMT, NA |
| 3 | 406 | 0.72 | 0.83 | 50 | empty |
| 4 | 84 | 0.72 | 0.95 | 22 | empty |
| 5 | 396 | 0.71 | 0.82 | 57 | empty |
Interfaces
10 interfaces between chains.
- A–B · 2374 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 2344 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 2340 Ų buried · 16 hydrogen bonds · protein-protein
- H–I · 2330 Ų buried · 14 hydrogen bonds · protein-protein
- A–E · 2318 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3UUB · The GLIC pentameric Ligand-Gated Ion Channel Loop2-21' mutant reduced in solution · the same entry in another collection · chain J against J, 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 3UUB · PDBe 3UUB · UniProt Q7NDN8
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