Research workbench
Elic cocrystallized with isofluorane in a desensitized state
Analyse Elic cocrystallized with isofluorane in a desensitized state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Z91
- Type
- protein
- Length
- 3,090 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Gamma-aminobutyric-acid receptor subunit beta-1
- UniProt
- E0SJQ4
- Ligands
- 4LE, 4LJ
- Pockets
- 20 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J | Gamma-aminobutyric-acid receptor subunit beta-1 | protein | 309 | 29% helix, 33% strand | E0SJQ4 |
Ligands and binding sites
- 4LE · (2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane · ligand · 4 copies · chains A, B, C, D, E, F, G, H, I, J
- 4LJ · 1.7.6 3-bromanylpropan-1-amine · ion · 20 copies · chains A, E, B, C, D, F, J, G, H, I
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 10 copies · chains A, B, C, D, E, F, G, H, I, J
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 | 194 | 0.83 | 0.97 | 25 | 4LE |
| 2 | 920 | 0.83 | 0.84 | 97 | 4LJ |
| 3 | 849 | 0.83 | 0.85 | 93 | 4LJ |
| 4 | 1110 | 0.82 | 0.83 | 114 | 4LJ |
| 5 | 167 | 0.81 | 0.96 | 22 | 4LE |
Interfaces
21 interfaces between chains.
- B–C · 2668 Ų buried · 28 hydrogen bonds · protein-protein
- I–J · 2643 Ų buried · 35 hydrogen bonds · protein-protein
- F–G · 2637 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 2635 Ų buried · 26 hydrogen bonds · protein-protein
- H–I · 2631 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 4Z91 · ELIC cocrystallized with isofluorane in a desensitized state · 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 4Z91 · PDBe 4Z91 · UniProt E0SJQ4
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