Research workbench
Pentameric ligand-gated ion channel elic in complex with barium
Analyse Pentameric ligand-gated ion channel elic in complex with barium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2YN6
- Type
- protein
- Length
- 1,535 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pentameric ligand-gated ion channel elic
- UniProt
- E0SJQ4
- Ligands
- BA
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Pentameric ligand-gated ion channel elic | protein | 307 | 33% helix, 33% strand | E0SJQ4 |
Ligands and binding sites
- BA · Barium ion · metal · 12 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1016 | 0.83 | 0.84 | 95 | BA |
| 2 | 997 | 0.83 | 0.84 | 102 | BA |
| 3 | 1007 | 0.83 | 0.84 | 88 | BA |
| 4 | 988 | 0.83 | 0.84 | 90 | BA |
| 5 | 938 | 0.83 | 0.84 | 92 | BA |
Interfaces
10 interfaces between chains.
- C–D · 2634 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 2619 Ų buried · 20 hydrogen bonds · protein-protein
- A–E · 2583 Ų buried · 22 hydrogen bonds · protein-protein
- D–E · 2569 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 2567 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 2YN6 · Pentameric Ligand-Gated Ion Channel ELIC in Complex with Barium · 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 E0SJQ4
- Elsewhere: RCSB PDB 2YN6 · PDBe 2YN6 · UniProt E0SJQ4
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