› 8bxw

X-ray diffraction
1.3Å resolution

Crystal structure of Odorant Binding Protein 5 from Anopheles gambiae (AgamOBP5) with Carvacrol

Released:
DOI: 10.2210/pdb8bxw/pdb
PDB entry 8bxw coloured by chain, front view.
PDB entry 8bxw coloured by chain, side view.
PDB entry 8bxw coloured by chain, top view.
Source organism: Anopheles gambiae
Primary publication:
The structure of AgamOBP5 in complex with the natural insect repellents Carvacrol and Thymol: Crystallographic, fluorescence and thermodynamic binding studies.
Liggri PGV, Tsitsanou KE, Stamati ECV, Saitta F, Drakou CE, Leonidas DD, Fessas D, Zographos SE
Int J Biol Macromol 124009 (2023)
PMID: 36921814

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186133 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Odorant binding protein Chain: AAA
Molecule details ›
Chain: AAA
Length: 123 amino acids
Theoretical weight: 14.11 KDa
Source organism: Anopheles gambiae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8T6R6 (Residues: 32-154; Coverage: 80%)
Gene name: OBP-5
Sequence domains: PBP/GOBP family

Ligands and Environments

5 bound ligands:
Ligand MPD 1 x MPD
Ligand 1BO 1 x 1BO
Ligand PGR 2 x PGR
Ligand S5V 2 x S5V
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P21
Unit cell:
a: 34.361Å b: 36.71Å c: 54.658Å
α: 90° β: 101.771° γ: 90°
R-values:
R R work R free
0.173 0.172 0.201
Expression system: Escherichia coli

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Citations

1 review citation

Anti-Inflammatory and Antimicrobial Properties of Thyme Oil and Its Main Constituents.
Vassiliou et al. (2023)
1 other article