Copper 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:

Magnesium

(Mg)

3 atoms

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

Copper binding site 1 out of 2 in the Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Magnesium (X1)


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu 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:Cu201 b:14.4 occ:1.00 NE2 A:HIS41 2.1 9.8 1.0 NE2 A:HIS95 2.2 11.2 1.0 NE2 B:HIS131 2.2 12.4 1.0 SD A:MET88 2.4 16.9 1.0 CE1 A:HIS41 3.0 9.6 1.0 CE1 A:HIS95 3.0 11.6 1.0 CE1 B:HIS131 3.0 12.7 1.0 CD2 A:HIS41 3.1 10.4 1.0 CG A:MET88 3.2 13.8 1.0 CD2 A:HIS95 3.3 10.7 1.0 CD2 B:HIS131 3.3 12.9 1.0 CE A:MET88 3.6 12.7 1.0 OE2 A:GLU43 3.9 36.3 1.0 ND1 A:HIS41 4.1 11.3 1.0 CG A:HIS41 4.2 10.6 1.0 ND1 A:HIS95 4.2 12.9 1.0 ND1 B:HIS131 4.2 14.0 1.0 CA A:GLY97 4.3 9.3 1.0 CG A:HIS95 4.3 11.0 1.0 CG B:HIS131 4.4 11.7 1.0 CG1 A:ILE24 4.4 11.3 1.0 CD1 A:ILE24 4.4 13.3 1.0 CB A:MET88 4.5 11.3 1.0 CD A:GLU43 4.6 40.5 1.0 N A:GLY97 4.7 10.2 1.0 CG A:GLU43 4.7 23.4 1.0 C A:GLY97 4.8 12.9 1.0

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


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu 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 B:Cu201 b:15.3 occ:1.00 NE2 B:HIS41 2.2 10.1 1.0 NE2 B:HIS95 2.2 15.5 1.0 NE2 A:HIS131 2.2 14.2 1.0 SD B:MET88 2.2 13.8 1.0 CE1 B:HIS41 3.0 10.0 1.0 CE1 A:HIS131 3.0 15.7 1.0 CG B:MET88 3.0 9.7 1.0 CE1 B:HIS95 3.0 15.6 1.0 CD2 B:HIS95 3.2 14.8 1.0 CD2 B:HIS41 3.2 10.2 1.0 CD2 A:HIS131 3.4 14.1 1.0 CE B:MET88 3.5 9.7 1.0 ND1 B:HIS41 4.2 11.7 1.0 CA B:GLY97 4.2 5.7 1.0 ND1 B:HIS95 4.2 17.0 1.0 ND1 A:HIS131 4.3 17.6 1.0 CG B:HIS41 4.3 10.8 1.0 CG B:HIS95 4.3 14.2 1.0 CG A:HIS131 4.4 14.0 1.0 CB B:MET88 4.4 6.1 1.0 CD1 B:ILE24 4.4 7.2 1.0 CG1 B:ILE24 4.5 13.5 1.0 N B:GLY97 4.6 5.5 1.0 OE1 B:GLU43 4.8 46.1 1.0 C B:GLY97 4.8 10.1 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