Nickel in PDB 7r3s: Ftra/P19 of Rubrivivax Gelatinosus in Complex with Ni

The structure of Ftra/P19 of Rubrivivax Gelatinosus in Complex with Ni, PDB code: 7r3s 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)	47.59 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.28, 79.81, 82.41, 90, 90, 90
R / Rfree (%)	17.6 / 20.1

The structure of Ftra/P19 of Rubrivivax Gelatinosus in Complex with Ni also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Nickel atom in the Ftra/P19 of Rubrivivax Gelatinosus in Complex with Ni (pdb code 7r3s). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Ftra/P19 of Rubrivivax Gelatinosus in Complex with Ni, PDB code: 7r3s:

Nickel binding site 1 out of 1 in the Ftra/P19 of Rubrivivax Gelatinosus in Complex with Ni


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Ftra/P19 of Rubrivivax Gelatinosus in Complex with Ni within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:33.8 occ:0.50 NE2 A:HIS95 1.7 31.5 0.5 NE2 A:HIS41 2.4 31.7 1.0 NE2 B:HIS131 2.4 31.0 1.0 CD2 A:HIS95 2.5 31.7 0.5 OE2 A:GLU43 2.7 41.0 1.0 CE1 A:HIS95 2.9 31.6 0.5 CE1 B:HIS131 3.0 31.8 1.0 CD2 A:HIS41 3.1 32.1 1.0 SD A:MET88 3.2 35.9 1.0 CE1 A:HIS41 3.5 31.9 1.0 CG A:MET88 3.5 31.4 1.0 CD A:GLU43 3.6 42.8 1.0 CD2 B:HIS131 3.7 31.7 1.0 CG A:HIS95 3.7 30.0 0.5 CG A:GLU43 3.7 34.7 1.0 ND1 A:HIS95 3.9 32.0 0.5 CB A:HIS95 4.1 26.8 0.5 ND1 B:HIS131 4.3 32.5 1.0 CE A:MET88 4.3 32.4 1.0 CG A:HIS41 4.3 30.1 1.0 CD2 A:HIS95 4.4 33.1 0.5 CA A:GLY97 4.4 24.8 1.0 CG A:HIS95 4.5 30.9 0.5 ND1 A:HIS41 4.5 32.0 1.0 O A:HOH379 4.6 55.3 1.0 CG B:HIS131 4.6 30.6 1.0 OE1 A:GLU43 4.7 44.1 1.0 N A:GLY97 4.8 24.5 1.0 CG1 A:ILE24 4.9 38.1 1.0 CB A:GLU43 5.0 28.2 1.0 O A:TYR96 5.0 25.6 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