Magnesium in PDB 3n7h: Crystal Structure of Odorant Binding Protein 1 From Anopheles Gambiae (AGAMOBP1) with Deet (N,N-Diethyl-Meta-Toluamide) and Peg

The structure of Crystal Structure of Odorant Binding Protein 1 From Anopheles Gambiae (AGAMOBP1) with Deet (N,N-Diethyl-Meta-Toluamide) and Peg, PDB code: 3n7h was solved by K.E.Tsitsanou, S.E.Zographos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.54 / 1.60
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	55.930, 63.540, 68.110, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 20.3

The structure of Crystal Structure of Odorant Binding Protein 1 From Anopheles Gambiae (AGAMOBP1) with Deet (N,N-Diethyl-Meta-Toluamide) and Peg also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Odorant Binding Protein 1 From Anopheles Gambiae (AGAMOBP1) with Deet (N,N-Diethyl-Meta-Toluamide) and Peg (pdb code 3n7h). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Odorant Binding Protein 1 From Anopheles Gambiae (AGAMOBP1) with Deet (N,N-Diethyl-Meta-Toluamide) and Peg, PDB code: 3n7h:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Odorant Binding Protein 1 From Anopheles Gambiae (AGAMOBP1) with Deet (N,N-Diethyl-Meta-Toluamide) and Peg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Odorant Binding Protein 1 From Anopheles Gambiae (AGAMOBP1) with Deet (N,N-Diethyl-Meta-Toluamide) and Peg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg126 b:17.6 occ:1.00 O A:HOH349 2.2 19.3 1.0 O A:HOH348 2.2 17.4 1.0 O A:HOH347 2.2 18.8 1.0 O A:HOH345 2.2 17.2 1.0 O A:HOH346 2.2 16.0 1.0 O A:HOH344 2.2 19.7 1.0 O A:HOH263 4.0 27.8 1.0 OD1 A:ASP105 4.2 11.7 1.0 OD2 A:ASP105 4.3 13.8 1.0 OE1 A:GLU49 4.3 12.9 1.0 O A:HOH351 4.3 13.7 1.0 OE1 A:GLU101 4.5 27.5 1.0 CG A:ASP105 4.7 11.4 1.0 CG2 A:THR102 4.9 12.4 1.0 CD A:GLU49 4.9 13.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Odorant Binding Protein 1 From Anopheles Gambiae (AGAMOBP1) with Deet (N,N-Diethyl-Meta-Toluamide) and Peg


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Odorant Binding Protein 1 From Anopheles Gambiae (AGAMOBP1) with Deet (N,N-Diethyl-Meta-Toluamide) and Peg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg132 b:33.6 occ:1.00 O A:HOH385 2.0 22.0 1.0 O A:HOH338 2.1 37.7 1.0 O A:HOH162 2.1 21.4 1.0 O A:HOH337 2.2 37.6 1.0 O A:HOH339 2.3 40.8 1.0 O A:HOH336 2.5 34.4 1.0 ND1 A:HIS46 4.1 15.7 1.0 O A:HOH390 4.1 24.9 1.0 O A:HOH280 4.3 35.0 1.0 OD2 A:ASP48 4.4 18.6 1.0 CB A:ASP48 4.5 12.2 1.0 CE1 A:HIS46 4.6 14.8 1.0 O A:GLU47 4.6 15.2 0.5 O A:HOH312 4.7 35.2 1.0 CG A:ASP48 4.9 13.6 1.0

K.E.Tsitsanou, T.Thireou, C.E.Drakou, K.Koussis, M.V.Keramioti, D.D.Leonidas, E.Eliopoulos, K.Iatrou, S.E.Zographos. Anopheles Gambiae Odorant Binding Protein Crystal Complex with the Synthetic Repellent Deet: Implications For Structure-Based Design of Novel Mosquito Repellents. Cell.Mol.Life Sci. V. 69 283 2012.
ISSN: ISSN 1420-682X
PubMed: 21671117
DOI: 10.1007/S00018-011-0745-Z