Magnesium in PDB 7r5e: Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1)

The structure of Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1), PDB code: 7r5e was solved by S.Morera, A.Vigouroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.42 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.58, 48.86, 78.22, 90, 123.15, 90
R / Rfree (%)	17.6 / 21.7

The structure of Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1) also contains other interesting chemical elements:

Copper

(Cu)

2 atoms

The binding sites of Magnesium atom in the Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1) (pdb code 7r5e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1), PDB code: 7r5e:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:34.0 occ:1.00 OD2 A:ASP92 2.0 44.3 1.0 OE2 A:GLU2 2.3 44.2 1.0 O A:HOH307 2.6 33.6 1.0 OE1 A:GLU43 2.7 30.7 1.0 CD A:GLU2 2.9 47.2 1.0 OE1 A:GLU2 3.0 49.2 1.0 CG A:ASP92 3.1 38.9 1.0 OD1 A:ASP92 3.5 39.0 1.0 CD A:GLU43 3.7 40.5 1.0 OD2 A:ASP45 3.9 50.8 1.0 OD1 A:ASP45 4.0 33.1 1.0 OE2 A:GLU43 4.1 36.3 1.0 CG A:GLU2 4.3 31.5 1.0 CG A:ASP45 4.4 36.0 1.0 CB A:ASP92 4.4 25.6 1.0 CG2 A:VAL19 4.6 20.1 1.0

Magnesium binding site 2 out of 3 in the Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:25.4 occ:1.00 O A:HOH308 2.1 13.7 1.0 O A:HOH315 2.2 24.4 1.0 OD2 A:ASP25 2.3 39.9 1.0 CG A:ASP25 3.2 28.1 1.0 OD1 A:ASP25 3.4 24.5 1.0 O A:HOH326 4.3 38.8 1.0 CB A:ASP25 4.6 17.1 1.0 O A:HOH320 4.7 22.4 1.0 CB B:ASP133 4.9 17.2 1.0

Magnesium binding site 3 out of 3 in the Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1) within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:40.1 occ:0.70 OE2 B:GLU43 2.2 44.1 1.0 OD2 B:ASP92 2.3 45.5 1.0 OE2 B:GLU2 2.5 47.8 1.0 CD B:GLU43 3.2 54.7 1.0 CG B:ASP92 3.3 38.4 1.0 CD B:GLU2 3.6 56.7 1.0 OE1 B:GLU43 3.6 46.1 1.0 OD1 B:ASP92 3.7 40.0 1.0 OD2 B:ASP45 3.7 60.5 1.0 OD1 B:ASP45 3.8 44.0 1.0 CE B:MET0 3.9 47.2 1.0 OE1 B:GLU2 4.1 43.7 1.0 CG B:ASP45 4.2 45.1 1.0 CG2 B:VAL19 4.3 16.7 1.0 O B:HOH360 4.5 32.2 1.0 CG B:GLU43 4.5 30.8 1.0 CB B:ASP92 4.7 21.8 1.0 CG B:GLU2 4.8 34.9 1.0 CB B:GLU2 4.9 23.6 1.0

A.S.Steunou, A.Vigouroux, M.Aumont-Nicaise, S.Plancqueel, A.Boussac, S.Ouchane, S.Morera. New Insights Into the Mechanism of Iron Transport Through the Bacterial Ftr System Present in Pathogens. Febs J. V. 289 6286 2022.
ISSN: ISSN 1742-464X
PubMed: 35527501
DOI: 10.1111/FEBS.16476