› 3n7h

X-ray diffraction
1.6Å resolution

Crystal structure of Odorant Binding Protein 1 from Anopheles gambiae (AgamOBP1) with DEET (N,N-Diethyl-meta-toluamide) and PEG

Released:
DOI: 10.2210/pdb3n7h/pdb
PDB entry 3n7h coloured by chain, front view.
PDB entry 3n7h coloured by chain, side view.
PDB entry 3n7h coloured by chain, top view.
Source organism: Anopheles gambiae
Primary publication:
Anopheles gambiae odorant binding protein crystal complex with the synthetic repellent DEET: implications for structure-based design of novel mosquito repellents.
Tsitsanou KE, Thireou T, Drakou CE, Koussis K, Keramioti MV, Leonidas DD, Eliopoulos E, Iatrou K, Zographos SE
Cell Mol Life Sci 69 283-97 (2012)
PMID: 21671117

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186136 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Odorant binding protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 125 amino acids
Theoretical weight: 14.55 KDa
Source organism: Anopheles gambiae
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8T6S0 (Residues: 20-144; Coverage: 100%)
Gene name: OBP-1
Sequence domains: PBP/GOBP family
Structure domains: Pheromone/general odorant binding protein domain

Ligands and Environments

5 bound ligands:
Ligand MG 2 x MG
Ligand MOH 8 x MOH
Ligand DE3 2 x DE3
Ligand PEU 2 x PEU
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X12
Unit cell:
a: 55.93Å b: 63.54Å c: 68.11Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.172 0.203
Expression system: Escherichia coli

Quick links

Citations

3 review citations

A look inside odorant-binding proteins in insect chemoreception.
Brito et al. (2016)
2 more

13 mentions without citation

Interactions of Anopheles gambiae odorant-binding proteins with a human-derived repellent: implications for the mode of action of n,n-diethyl-3-methylbenzamide (DEET).
Murphy et al. (2013)
12 more