Iron 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:

Copper

(Cu)

2 atoms

The binding sites of Iron 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 Iron atom.
In total 4 binding sites of Iron where determined in the Strep-Tag Ftra-P19 From Rubrivivax Gelatinosus in Complex with Iron and Copper, PDB code: 7r4z:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 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 Iron with other atoms in the Fe 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:Fe201 b:60.7 occ:1.00 OD2 A:ASP92 1.7 88.4 1.0 OE1 A:GLU43 2.2 80.2 1.0 OE2 A:GLU2 2.3 84.7 1.0 O A:HOH301 2.6 45.3 1.0 CG A:ASP92 2.8 76.4 1.0 O A:HOH303 2.9 41.5 1.0 CD A:GLU43 3.0 72.8 1.0 CD A:GLU2 3.1 81.5 1.0 OE2 A:GLU43 3.1 48.7 1.0 OE1 A:GLU2 3.2 65.5 1.0 OD1 A:ASP92 3.4 80.3 1.0 OD1 A:ASP45 3.7 63.4 1.0 OD2 A:ASP45 4.1 72.5 1.0 CB A:ASP92 4.1 53.6 1.0 CG A:ASP45 4.3 63.3 1.0 CG2 A:VAL19 4.4 50.1 1.0 CG A:GLU43 4.4 53.6 1.0 CG A:GLU2 4.5 54.6 1.0 ND1 A:HIS95 4.8 51.5 1.0 CG A:HIS95 4.8 49.1 1.0 CB A:GLU43 4.9 42.7 1.0

Iron binding site 2 out of 4 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 Iron with other atoms in the Fe 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:Fe202 b:58.8 occ:1.00 OD2 B:ASP92 1.9 76.8 1.0 OE1 B:GLU43 2.2 80.0 1.0 OE2 B:GLU2 2.3 84.1 1.0 CD B:GLU2 3.0 88.4 1.0 CD B:GLU43 3.0 73.9 1.0 CG B:ASP92 3.0 66.7 1.0 OE1 B:GLU2 3.1 93.7 1.0 OE2 B:GLU43 3.2 68.3 1.0 OD1 B:ASP92 3.6 67.3 1.0 OD1 B:ASP45 3.6 61.5 1.0 O B:HOH303 3.8 70.2 1.0 OD2 B:ASP45 3.9 67.6 1.0 CG B:ASP45 4.2 62.1 1.0 CB B:ASP92 4.2 52.3 1.0 CG B:GLU2 4.2 64.8 1.0 CG2 B:VAL19 4.2 50.0 1.0 CG B:GLU43 4.4 47.9 1.0 CB B:GLU43 4.9 42.4 1.0 CG B:HIS95 4.9 49.6 1.0 ND1 B:HIS95 5.0 51.8 1.0

Iron binding site 3 out of 4 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 Iron with other atoms in the Fe binding site number 3 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:Fe203 b:102.6 occ:1.00 OE2 B:GLU27 2.9 102.3 1.0 OE1 B:GLU27 3.2 104.3 1.0 CD B:GLU27 3.4 101.7 1.0 FE B:FE204 3.8 114.6 1.0 O B:HOH305 4.2 57.8 1.0 CG B:GLU29 4.2 78.7 1.0 O B:HOH306 4.3 52.1 1.0 OE1 B:GLU29 4.5 98.6 1.0 CG B:GLU27 4.7 66.6 1.0 CD B:GLU29 4.9 112.1 1.0

Iron binding site 4 out of 4 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 Iron with other atoms in the Fe binding site number 4 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:Fe204 b:114.6 occ:1.00 OE1 B:GLU27 2.3 104.3 1.0 O B:HOH305 2.8 57.8 1.0 CD B:GLU27 3.4 101.7 1.0 FE B:FE203 3.8 102.6 1.0 CG B:GLU27 4.3 66.6 1.0 OE2 B:GLU27 4.3 102.3 1.0 N B:GLU29 4.4 52.3 1.0 CA B:PRO28 4.7 49.8 1.0 O B:HOH306 4.8 52.1 1.0 CG B:GLU29 4.8 78.7 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