Research workbench
Iachsnfr fluorescent acetylcholine sensor precursor
Analyse Iachsnfr fluorescent acetylcholine sensor precursor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6URU
- Type
- protein
- Length
- 1,000 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iachsnfr precursor
- Ligands
- CRO
- Pockets
- 10 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Iachsnfr precursor | protein | 500 | 30% helix, 32% strand | — |
Ligands and binding sites
- CRO · {2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 122 | 0.79 | 0.97 | 28 | CRO |
| 2 | 104 | 0.77 | 0.97 | 24 | CRO |
| 3 | 665 | 0.72 | 0.79 | 60 | empty |
| 4 | 756 | 0.68 | 0.75 | 79 | empty |
| 5 | 685 | 0.66 | 0.75 | 70 | empty |
Interfaces
1 interface between chains.
- A–B · 360 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 cofactor (chromophore).
Compared structures
- 6URU · iAChSnFR Fluorescent Acetylcholine Sensor precursor · 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
- Elsewhere: RCSB PDB 6URU · PDBe 6URU
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