MolNFT v1 · #101390 · protein
The resting-state conformation of the glic ligand-gated ion channel
4NPQ · Proton-gated ion channel: “The resting-state conformation of the glic ligand-gated ion channel”. X-ray diffraction, 20 pockets (best druggability 0.87). MolNFT v1 #101390 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4NPQ
- Type
- protein
- Length
- 6,198 residues
- Chains
- 20
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proton-gated ion channel
- UniProt
- Q7NDN8
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 6 distinct chains · 35% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, J, N, O, P, Q, R, T | Proton-gated ion channel | protein | 311 | 34% helix, 28% strand | Q7NDN8 |
| H, S | Proton-gated ion channel | protein | 309 | 35% helix, 28% strand | Q7NDN8 |
| I | Proton-gated ion channel | protein | 307 | 36% helix, 27% strand | Q7NDN8 |
| K | Proton-gated ion channel | protein | 309 | 35% helix, 27% strand | Q7NDN8 |
| L | Proton-gated ion channel | protein | 302 | 35% helix, 28% strand | Q7NDN8 |
| M | Proton-gated ion channel | protein | 308 | 34% helix, 27% strand | Q7NDN8 |
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 | 1056 | 0.87 | 0.88 | 122 | empty |
| 2 | 963 | 0.86 | 0.87 | 94 | empty |
| 3 | 1149 | 0.86 | 0.86 | 122 | empty |
| 4 | 1154 | 0.86 | 0.86 | 138 | empty |
| 5 | 905 | 0.85 | 0.87 | 105 | empty |
Interfaces
24 interfaces between chains.
- C–D · 1957 Ų buried · 6 hydrogen bonds · protein-protein
- K–O · 1874 Ų buried · 9 hydrogen bonds · protein-protein
- Q–R · 1859 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 1858 Ų buried · 7 hydrogen bonds · protein-protein
- N–O · 1852 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4NPQ · The resting-state conformation of the GLIC ligand-gated ion channel · the same entry in another collection · chain J against J, 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 4NPQ · PDBe 4NPQ · UniProt Q7NDN8
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