MolNFT v1 · #106992 · protein
X-ray structure of a pentameric ligand gated ion channel from erwinia chrysanthemi (elic) mutant F16'S
4TWH · Cys-loop ligand-gated ion channel: “X-ray structure of a pentameric ligand gated ion channel from erwinia chrysanthemi (elic) mutant F16'S”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #106992 on GenesisL1: 3D…
- PDB
- 4TWH
- Type
- protein
- Length
- 3,070 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cys-loop ligand-gated ion channel
- UniProt
- P0C7B7
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J | Cys-loop ligand-gated ion channel | protein | 307 | 31% helix, 32% strand | P0C7B7 |
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 | 755 | 0.85 | 0.88 | 63 | empty |
| 2 | 948 | 0.84 | 0.85 | 108 | empty |
| 3 | 893 | 0.83 | 0.85 | 103 | empty |
| 4 | 961 | 0.83 | 0.84 | 97 | empty |
| 5 | 243 | 0.83 | 0.95 | 32 | empty |
Interfaces
17 interfaces between chains.
- B–C · 2697 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 2649 Ų buried · 34 hydrogen bonds · protein-protein
- F–J · 2608 Ų buried · 26 hydrogen bonds · protein-protein
- G–H · 2601 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 2592 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 4TWH · X-ray structure of a pentameric ligand gated ion channel from Erwinia chrysanthemi (ELIC)… · the same entry in another collection · chain J against J, TM-score 1.00
- P0C7B7 · AlphaFold monomer V2.0 prediction for cys-loop ligand-gated ion channel (P0C7B7) · a predicted model of the same protein · chain F against A, TM-score 0.98
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 P0C7B7
- Elsewhere: RCSB PDB 4TWH · PDBe 4TWH · UniProt P0C7B7
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