Magnesium in PDB 8c6e: Crystal Structure of Odorant Binding Protein 4 From Anopheles Gambiae (AGAMOBP4) at pH 8.5

The structure of Crystal Structure of Odorant Binding Protein 4 From Anopheles Gambiae (AGAMOBP4) at pH 8.5, PDB code: 8c6e was solved by K.E.Tsitsanou, C.E.Drakou, S.E.Zographos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.54 / 2.05
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.95, 55.58, 56.26, 90, 90, 90
R / Rfree (%)	19 / 23.3

The structure of Crystal Structure of Odorant Binding Protein 4 From Anopheles Gambiae (AGAMOBP4) at pH 8.5 also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Odorant Binding Protein 4 From Anopheles Gambiae (AGAMOBP4) at pH 8.5 (pdb code 8c6e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Odorant Binding Protein 4 From Anopheles Gambiae (AGAMOBP4) at pH 8.5, PDB code: 8c6e:

Magnesium binding site 1 out of 1 in the Crystal Structure of Odorant Binding Protein 4 From Anopheles Gambiae (AGAMOBP4) at pH 8.5


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 4 From Anopheles Gambiae (AGAMOBP4) at pH 8.5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:49.2 occ:1.00 O A:HOH311 2.0 31.6 1.0 OD2 A:ASP42 2.1 30.7 1.0 O A:HOH323 2.4 42.0 1.0 O A:HOH302 2.5 40.7 1.0 CG A:ASP42 3.2 27.5 1.0 OD1 A:ASP42 3.7 26.3 1.0 OE2 A:GLU28 3.7 23.0 0.5 OE1 A:GLU28 4.1 21.5 0.5 OE1 A:GLU28 4.1 24.7 0.5 CD A:GLU28 4.1 21.9 0.5 O A:LYS23 4.3 33.4 1.0 O A:HOH321 4.4 35.0 1.0 CB A:ASP42 4.5 28.8 1.0 OE1 A:GLU44 4.9 28.7 1.0 CD A:GLU28 4.9 23.5 0.5

B.Mam, K.E.Tsitsanou, P.G.V.Liggri, F.Saitta, E.C.V.Stamati, J.Mahita, G.Leonis, C.E.Drakou, M.Papadopoulos, P.Arnaud, B.Offmann, D.Fessas, R.Sowdhamini, S.E.Zographos. Influence of pH on Indole-Dependent Heterodimeric Interactions Between Anopheles Gambiae Odorant-Binding Proteins OBP1 and OBP4. Int.J.Biol.Macromol. 25422 2023.
ISSN: ISSN 0141-8130
PubMed: 37330089
DOI: 10.1016/J.IJBIOMAC.2023.125422