Research workbench
The crystal structure of bromide-bound GTACR1
Analyse The crystal structure of bromide-bound GTACR1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7L1E
- Type
- protein
- Length
- 534 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anion channelrhodopsin-1
- UniProt
- A0A6U6DEE4
- Ligands
- BR
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 64% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anion channelrhodopsin-1 | protein | 265 | 63% helix, 4% strand | A0A6U6DEE4 |
| B | Anion channelrhodopsin-1 | protein | 269 | 64% helix, 5% strand | A0A6U6DEE4 |
Ligands and binding sites
- BR · Bromide ion · ion · 2 copies · chains A, B
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 6 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 68 | 0.71 | 0.97 | 20 | empty |
| 2 | 502 | 0.71 | 0.80 | 54 | BR |
| 3 | 367 | 0.65 | 0.79 | 34 | OLC |
| 4 | 382 | 0.64 | 0.78 | 36 | OLC |
| 5 | 57 | 0.63 | 0.93 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1260 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 2 modified (disulfide, nonstandard).
Compared structures
- 7L1E · The Crystal Structure of Bromide-Bound GtACR1 · 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 A0A6U6DEE4
- Elsewhere: RCSB PDB 7L1E · PDBe 7L1E · UniProt A0A6U6DEE4
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