MolNFT v1 · #148934 · protein
The active form of a pentameric ion channel (stelic) gated by alkaline pH - wild type 2.3 ångström resolution
6FL9 · Cys-loop ligand-gated ion channel: “The active form of a pentameric ion channel (stelic) gated by alkaline pH - wild type 2.3 ångström resolution”. X-ray diffraction, 1 ligand (BNG), 20 pockets (best druggability 0.83). MolNFT v1…
- PDB
- 6FL9
- Type
- protein
- Length
- 1,550 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cys-loop ligand-gated ion channel
- UniProt
- G2FID1
- Ligands
- BNG
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Cys-loop ligand-gated ion channel | protein | 310 | 38% helix, 35% strand | G2FID1 |
Ligands and binding sites
- BNG · nonyl beta-D-glucopyranoside · ligand · 5 copies · chains A, B, C, D, E
- PG4 · Tetraethylene glycol · additive · 5 copies · chains A, E, B, C, D
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 | 1058 | 0.83 | 0.83 | 98 | PG4 |
| 2 | 692 | 0.80 | 0.83 | 65 | PG4 |
| 3 | 291 | 0.61 | 0.79 | 31 | empty |
| 4 | 262 | 0.60 | 0.79 | 30 | empty |
| 5 | 275 | 0.60 | 0.78 | 32 | empty |
Interfaces
5 interfaces between chains.
- C–D · 2453 Ų buried · 44 hydrogen bonds · protein-protein
- A–B · 2436 Ų buried · 42 hydrogen bonds · protein-protein
- B–C · 2411 Ų buried · 41 hydrogen bonds · protein-protein
- D–E · 2408 Ų buried · 39 hydrogen bonds · protein-protein
- A–E · 2407 Ų buried · 44 hydrogen bonds · protein-protein
Compared structures
- 6FL9 · The active form of a pentameric ion channel (sTeLIC) gated by alkaline pH - Wild type 2.3… · the same entry in another collection · 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 G2FID1
- Elsewhere: RCSB PDB 6FL9 · PDBe 6FL9 · UniProt G2FID1
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