MolNFT v1 · #187279 · protein
INICSNFR3A nicotine sensor comprising periplasmic binding sequence plus fluorescent sequence with varenicline bound
7S7T · Inicsnfr 3.0 fluorescent nicotine sensor: “INICSNFR3A nicotine sensor comprising periplasmic binding sequence plus fluorescent sequence with varenicline…”. X-ray diffraction, 3 ligands (CRO, QMR, IOD), 4 pockets (best druggability…
- PDB
- 7S7T
- Type
- protein
- Length
- 509 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inicsnfr 3.0 fluorescent nicotine sensor
- Ligands
- CRO, QMR, IOD
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inicsnfr 3.0 fluorescent nicotine sensor | protein | 509 | 28% 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 · chains A
- QMR · Varenicline · ligand · chains A
- IOD · Iodide ion · ion · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 168 | 0.80 | 0.96 | 37 | CRO |
| 2 | 276 | 0.73 | 0.86 | 37 | QMR |
| 3 | 68 | 0.34 | 0.76 | 23 | empty |
| 4 | 62 | 0.27 | 0.72 | 18 | empty |
Modifications
Observed in the structure: 2 cofactor (chromophore).
Compared structures
- 7S7T · iNicSnFR3a Nicotine Sensor comprising Periplasmic Binding sequence plus Fluorescent… · 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 7S7T · PDBe 7S7T
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