MolNFT v1 · #151309 · protein
X-ray structure of a pentameric ligand gated ion channel from erwinia chrysanthemi (elic) F16'S pore mutant (F247S) with alternate M4 conformation.
6HK0 · Cys-loop ligand-gated ion channel: “X-ray structure of a pentameric ligand gated ion channel from erwinia chrysanthemi (elic) F16'S pore mutant…”. X-ray diffraction, 20 pockets (best druggability 0.83). MolNFT v1 #151309 on…
- PDB
- 6HK0
- Type
- protein
- Length
- 3,064 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 0.83
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I | Cys-loop ligand-gated ion channel | protein | 307 | 35% helix, 33% strand | P0C7B7 |
| J | Cys-loop ligand-gated ion channel | protein | 301 | 34% helix, 34% strand | P0C7B7 |
Ligands and binding sites
- LMT · Dodecyl-beta-D-maltoside · additive · 10 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 | 802 | 0.83 | 0.85 | 99 | empty |
| 2 | 1109 | 0.83 | 0.84 | 128 | empty |
| 3 | 759 | 0.83 | 0.86 | 95 | empty |
| 4 | 898 | 0.82 | 0.84 | 103 | empty |
| 5 | 1013 | 0.82 | 0.83 | 113 | empty |
Interfaces
21 interfaces between chains.
- F–J · 2760 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 2695 Ų buried · 22 hydrogen bonds · protein-protein
- H–I · 2688 Ų buried · 23 hydrogen bonds · protein-protein
- G–H · 2674 Ų buried · 26 hydrogen bonds · protein-protein
- B–C · 2660 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 covalent (additive adduct).
Compared structures
- 6HK0 · 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 A 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 6HK0 · PDBe 6HK0 · UniProt P0C7B7
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