Research workbench
Crystal structure of INICSNFR3A fluorescent nicotine sensor
Analyse Crystal structure of INICSNFR3A fluorescent nicotine sensor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7S7V
- Type
- protein
- Length
- 2,030 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inicsnfr 3.0 fluorescent nicotine sensor
- Ligands
- CRO
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inicsnfr 3.0 fluorescent nicotine sensor | protein | 508 | 29% helix, 34% strand | — |
| B, D | Inicsnfr 3.0 fluorescent nicotine sensor | protein | 508 | 29% helix, 33% strand | — |
| C | Inicsnfr 3.0 fluorescent nicotine sensor | protein | 506 | 29% helix, 34% 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 · 4 copies · chains A, 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, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 762 | 0.82 | 0.85 | 89 | empty |
| 2 | 1124 | 0.81 | 0.82 | 103 | empty |
| 3 | 961 | 0.79 | 0.81 | 108 | empty |
| 4 | 104 | 0.79 | 0.98 | 26 | CRO |
| 5 | 99 | 0.78 | 0.98 | 25 | CRO |
Interfaces
6 interfaces between chains.
- A–B · 975 Ų buried · 8 hydrogen bonds · protein-protein
- C–D · 896 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 792 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 704 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 155 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 8 cofactor (chromophore).
Compared structures
- 7S7V · Crystal structure of iNicSnFR3a Fluorescent Nicotine Sensor · 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 7S7V · PDBe 7S7V
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