Copper in PDB 7r5p: Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron

The structure of Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron, PDB code: 7r5p 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)	32.24 / 1.68
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.575, 77.996, 115.225, 90, 95.83, 90
R / Rfree (%)	17.9 / 21.1

The structure of Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron also contains other interesting chemical elements:

Magnesium

(Mg)

6 atoms

The binding sites of Copper atom in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron (pdb code 7r5p). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 6 binding sites of Copper where determined in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron, PDB code: 7r5p:
Jump to Copper binding site number: 1; 2; 3; 4; 5; 6;

Copper binding site 1 out of 6 in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu201 b:18.5 occ:1.00 NE2 A:HIS95 2.0 13.4 1.0 NE2 B:HIS131 2.1 15.1 1.0 NE2 A:HIS41 2.1 17.0 1.0 SD A:MET88 2.4 20.7 1.0 CE1 A:HIS95 3.0 13.7 1.0 CE1 B:HIS131 3.0 16.7 1.0 CD2 A:HIS95 3.1 14.0 1.0 CG A:MET88 3.1 16.4 1.0 CE1 A:HIS41 3.1 17.6 1.0 CD2 A:HIS41 3.1 17.2 1.0 CD2 B:HIS131 3.2 18.0 1.0 CE A:MET88 3.5 17.4 1.0 OE2 A:GLU43 3.8 28.1 1.0 ND1 A:HIS95 4.1 14.7 1.0 CG A:HIS95 4.2 12.8 1.0 ND1 B:HIS131 4.2 18.9 1.0 CA A:GLY97 4.2 14.0 1.0 ND1 A:HIS41 4.2 18.8 1.0 CG A:HIS41 4.2 17.5 1.0 CG B:HIS131 4.3 18.7 1.0 CD1 A:ILE24 4.5 18.1 1.0 CG1 A:ILE24 4.5 22.2 1.0 CB A:MET88 4.5 13.6 1.0 CD A:GLU43 4.6 36.0 1.0 N A:GLY97 4.6 14.4 1.0 CG A:GLU43 4.7 23.1 1.0 C A:GLY97 4.8 18.3 1.0

Copper binding site 2 out of 6 in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:18.6 occ:1.00 NE2 B:HIS41 2.1 16.6 1.0 NE2 B:HIS95 2.1 19.5 1.0 NE2 A:HIS131 2.1 15.0 1.0 SD B:MET88 2.3 20.6 1.0 CE1 A:HIS131 3.0 16.4 1.0 CE1 B:HIS41 3.0 16.5 1.0 CE1 B:HIS95 3.0 19.5 1.0 CD2 B:HIS41 3.1 16.0 1.0 CG B:MET88 3.1 17.5 1.0 CD2 B:HIS95 3.2 18.4 1.0 CD2 A:HIS131 3.3 15.2 1.0 CE B:MET88 3.5 16.1 1.0 OE2 B:GLU43 4.1 32.2 1.0 ND1 B:HIS41 4.1 18.3 1.0 CG B:HIS41 4.2 17.2 1.0 ND1 A:HIS131 4.2 19.2 1.0 ND1 B:HIS95 4.2 19.6 1.0 CG B:HIS95 4.3 16.5 1.0 CG A:HIS131 4.3 17.8 1.0 CA B:GLY97 4.4 15.0 1.0 CD1 B:ILE24 4.4 25.4 1.0 CG1 B:ILE24 4.5 19.8 1.0 CB B:MET88 4.5 16.0 1.0 N B:GLY97 4.8 13.4 1.0 CD B:GLU43 4.8 37.6 1.0 CG B:GLU43 4.8 26.6 1.0 C B:GLY97 4.8 17.0 1.0

Copper binding site 3 out of 6 in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu201 b:25.8 occ:1.00 NE2 D:HIS131 2.1 22.8 1.0 NE2 C:HIS95 2.2 27.1 1.0 NE2 C:HIS41 2.2 26.0 1.0 SD C:MET88 2.3 25.7 1.0 CE1 D:HIS131 3.0 23.4 1.0 CG C:MET88 3.1 21.0 1.0 CE1 C:HIS95 3.1 27.7 1.0 CD2 C:HIS41 3.1 27.4 1.0 CD2 D:HIS131 3.2 23.2 1.0 CD2 C:HIS95 3.2 26.6 1.0 CE1 C:HIS41 3.2 26.3 1.0 CE C:MET88 3.4 21.2 1.0 OE2 C:GLU43 4.1 30.5 1.0 ND1 D:HIS131 4.2 26.0 1.0 ND1 C:HIS95 4.3 28.4 1.0 CG D:HIS131 4.3 25.1 1.0 CG C:HIS41 4.3 27.7 1.0 ND1 C:HIS41 4.3 28.1 1.0 CG C:HIS95 4.3 25.0 1.0 CA C:GLY97 4.3 17.0 1.0 CB C:MET88 4.5 17.9 1.0 CD1 C:ILE24 4.5 30.3 1.0 CG1 C:ILE24 4.6 27.7 1.0 CG C:GLU43 4.7 34.8 1.0 N C:GLY97 4.7 16.8 1.0 CD C:GLU43 4.8 46.0 1.0 C C:GLY97 4.8 22.3 1.0

Copper binding site 4 out of 6 in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 4 of Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron within 5.0Å range: probe atom residue distance (Å) B Occ D:Cu201 b:23.6 occ:1.00 NE2 D:HIS95 2.1 20.5 1.0 NE2 C:HIS131 2.1 23.4 1.0 NE2 D:HIS41 2.2 21.4 1.0 SD D:MET88 2.3 32.0 1.0 CE1 C:HIS131 3.0 24.3 1.0 CE1 D:HIS41 3.0 21.7 1.0 CE1 D:HIS95 3.0 21.0 1.0 CG D:MET88 3.0 23.9 1.0 CD2 D:HIS95 3.2 19.7 1.0 CD2 D:HIS41 3.3 22.8 1.0 CD2 C:HIS131 3.3 24.6 1.0 CE D:MET88 3.4 28.1 1.0 OE2 D:GLU43 3.8 38.0 1.0 ND1 C:HIS131 4.2 26.5 1.0 ND1 D:HIS41 4.2 24.3 1.0 ND1 D:HIS95 4.2 21.8 1.0 CG D:HIS95 4.3 19.5 1.0 CG D:HIS41 4.3 22.5 1.0 CA D:GLY97 4.3 15.8 1.0 CG C:HIS131 4.3 25.1 1.0 CD1 D:ILE24 4.4 33.9 1.0 CB D:MET88 4.4 20.1 1.0 CG1 D:ILE24 4.4 24.6 1.0 CD D:GLU43 4.6 41.4 1.0 N D:GLY97 4.7 15.9 1.0 CG D:GLU43 4.7 32.7 1.0 C D:GLY97 4.8 19.1 1.0

Copper binding site 5 out of 6 in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 5 of Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron within 5.0Å range: probe atom residue distance (Å) B Occ E:Cu201 b:20.3 occ:1.00 NE2 E:HIS95 2.0 20.5 1.0 NE2 E:HIS41 2.1 16.9 1.0 NE2 F:HIS131 2.2 19.6 1.0 SD E:MET88 2.3 21.5 1.0 CE1 E:HIS41 3.0 17.7 1.0 CE1 F:HIS131 3.0 20.8 1.0 CE1 E:HIS95 3.0 21.0 1.0 CG E:MET88 3.1 18.2 1.0 CD2 E:HIS41 3.1 17.2 1.0 CD2 E:HIS95 3.1 20.3 1.0 CD2 F:HIS131 3.3 20.3 1.0 CE E:MET88 3.4 18.1 1.0 OE2 E:GLU43 3.8 28.5 1.0 ND1 E:HIS41 4.1 20.0 1.0 ND1 E:HIS95 4.1 21.6 1.0 CG E:HIS41 4.2 19.2 1.0 CG E:HIS95 4.2 19.1 1.0 ND1 F:HIS131 4.2 22.1 1.0 CA E:GLY97 4.3 11.6 1.0 CG F:HIS131 4.3 21.1 1.0 CB E:MET88 4.5 13.8 1.0 CG1 E:ILE24 4.5 25.5 1.0 CD1 E:ILE24 4.5 28.8 1.0 CD E:GLU43 4.6 31.5 1.0 CG E:GLU43 4.7 21.8 1.0 N E:GLY97 4.7 11.4 1.0 C E:GLY97 4.8 14.5 1.0

Copper binding site 6 out of 6 in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 6 of Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Copper and Iron within 5.0Å range: probe atom residue distance (Å) B Occ F:Cu201 b:23.7 occ:1.00 NE2 F:HIS95 2.1 24.2 1.0 NE2 E:HIS131 2.1 22.0 1.0 NE2 F:HIS41 2.1 23.4 1.0 SD F:MET88 2.3 24.2 1.0 CE1 E:HIS131 3.0 22.4 1.0 CE1 F:HIS95 3.0 23.0 1.0 CE1 F:HIS41 3.1 23.4 1.0 CG F:MET88 3.1 19.6 1.0 CD2 F:HIS41 3.1 24.9 1.0 CD2 F:HIS95 3.2 24.3 1.0 CD2 E:HIS131 3.3 22.6 1.0 CE F:MET88 3.5 21.5 1.0 OE2 F:GLU43 3.8 38.8 1.0 ND1 F:HIS41 4.2 25.3 1.0 ND1 E:HIS131 4.2 24.2 1.0 ND1 F:HIS95 4.2 22.3 1.0 CG F:HIS41 4.2 24.9 1.0 CG F:HIS95 4.3 20.8 1.0 CA F:GLY97 4.3 16.2 1.0 CG E:HIS131 4.3 24.0 1.0 CD1 F:ILE24 4.4 31.0 1.0 CG1 F:ILE24 4.4 25.9 1.0 CB F:MET88 4.5 16.0 1.0 CD F:GLU43 4.7 44.1 1.0 N F:GLY97 4.7 15.7 1.0 CG F:GLU43 4.8 36.2 1.0 C F:GLY97 4.9 20.2 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