Copper in PDB 7r4z: Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Iron and Copper

The structure of Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Iron and Copper, PDB code: 7r4z 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)	46.25 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.82, 71.23, 79.65, 90, 90, 90
R / Rfree (%)	17.1 / 22.6

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

Iron

(Fe)

4 atoms

The binding sites of Copper atom in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Iron and Copper (pdb code 7r4z). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 2 binding sites of Copper where determined in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Iron and Copper, PDB code: 7r4z:
Jump to Copper binding site number: 1; 2;

Copper binding site 1 out of 2 in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Iron and Copper


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 Iron and Copper within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu200 b:72.5 occ:1.00 NE2 A:HIS95 2.2 51.4 1.0 SD A:MET88 2.3 56.0 1.0 NE2 A:HIS41 2.4 40.8 1.0 NE2 B:HIS131 2.4 52.0 1.0 CG A:MET88 3.0 50.5 1.0 CE1 A:HIS41 3.2 40.9 1.0 CD2 A:HIS95 3.2 51.1 1.0 CE1 A:HIS95 3.2 51.4 1.0 CE1 B:HIS131 3.2 52.6 1.0 CD2 A:HIS41 3.4 41.3 1.0 CD2 B:HIS131 3.6 52.7 1.0 CE A:MET88 3.7 52.6 1.0 CA A:GLY97 4.2 41.3 1.0 CB A:MET88 4.3 46.8 1.0 CG A:HIS95 4.3 49.1 1.0 ND1 A:HIS95 4.3 51.5 1.0 ND1 A:HIS41 4.3 42.1 1.0 OE2 A:GLU43 4.4 48.7 1.0 CG A:HIS41 4.4 40.9 1.0 ND1 B:HIS131 4.4 54.5 1.0 N A:GLY97 4.5 41.0 1.0 CD1 A:ILE24 4.5 49.7 1.0 CG B:HIS131 4.6 52.2 1.0 CG A:GLU43 4.7 53.6 1.0 C A:GLY97 4.7 44.9 1.0 CG1 A:ILE24 4.7 49.9 1.0 CD A:GLU43 4.9 72.8 1.0

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


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 Iron and Copper within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu201 b:60.0 occ:1.00 NE2 B:HIS95 2.0 50.9 1.0 NE2 A:HIS131 2.2 49.4 1.0 SD B:MET88 2.3 48.2 1.0 NE2 B:HIS41 2.3 45.9 1.0 CE1 B:HIS95 2.9 51.0 1.0 CE1 A:HIS131 3.0 50.1 1.0 CD2 B:HIS95 3.1 50.9 1.0 CG B:MET88 3.1 43.3 1.0 CE1 B:HIS41 3.2 45.9 1.0 CD2 B:HIS41 3.3 47.6 1.0 CD2 A:HIS131 3.4 49.7 1.0 CE B:MET88 3.7 44.5 1.0 ND1 B:HIS95 4.1 51.8 1.0 CG B:HIS95 4.1 49.6 1.0 ND1 A:HIS131 4.2 51.2 1.0 CD1 B:ILE24 4.3 57.9 1.0 ND1 B:HIS41 4.3 47.7 1.0 CB B:MET88 4.4 39.2 1.0 CG B:HIS41 4.4 47.0 1.0 CA B:GLY97 4.4 39.1 1.0 CG A:HIS131 4.4 48.8 1.0 OE2 B:GLU43 4.4 68.3 1.0 CG1 B:ILE24 4.5 50.3 1.0 N B:GLY97 4.7 40.6 1.0 CG B:GLU43 4.8 47.9 1.0 C B:GLY97 4.9 43.7 1.0 CD B:GLU43 5.0 73.9 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