Sodium in PDB 6hlj: Variant G129S of Nuoef From Aquifex Aeolicus - Oxidized From

All present enzymatic activity of Variant G129S of Nuoef From Aquifex Aeolicus - Oxidized From:
1.6.5.11;

The structure of Variant G129S of Nuoef From Aquifex Aeolicus - Oxidized From, PDB code: 6hlj was solved by S.Gerhardt, T.Friedrich, O.Einsle, E.Gnandt, M.Schulte, D.Fiegen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.43 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.584, 115.846, 189.887, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 21.8

The structure of Variant G129S of Nuoef From Aquifex Aeolicus - Oxidized From also contains other interesting chemical elements:

Iron

(Fe)

12 atoms

The binding sites of Sodium atom in the Variant G129S of Nuoef From Aquifex Aeolicus - Oxidized From (pdb code 6hlj). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Variant G129S of Nuoef From Aquifex Aeolicus - Oxidized From, PDB code: 6hlj:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Variant G129S of Nuoef From Aquifex Aeolicus - Oxidized From


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Variant G129S of Nuoef From Aquifex Aeolicus - Oxidized From within 5.0Å range: probe atom residue distance (Å) B Occ B:Na503 b:42.1 occ:1.00 OD1 B:ASP94 2.4 23.3 1.0 O B:HOH700 2.6 18.4 1.0 O B:HOH717 2.7 36.5 1.0 O B:ALA179 3.0 24.0 1.0 OD2 B:ASP94 3.1 34.0 1.0 CG B:ASP94 3.1 27.6 1.0 O B:HOH601 3.2 39.4 1.0 N B:ALA179 3.8 24.9 1.0 C B:ALA179 3.8 26.1 1.0 CB B:CYS182 3.9 24.6 1.0 CB B:ARG135 4.0 22.1 1.0 CA B:GLY176 4.1 19.6 1.0 CA B:ARG135 4.1 21.8 1.0 N B:ALA177 4.3 23.0 1.0 CE1 B:TYR133 4.4 23.8 1.0 CA B:ALA179 4.4 24.4 1.0 N B:GLY178 4.4 26.8 1.0 OG B:SER96 4.6 33.9 1.0 C B:GLY176 4.6 24.3 1.0 OH B:TYR133 4.6 29.6 1.0 CB B:ASP94 4.6 23.2 1.0 C B:GLY178 4.7 33.3 1.0 O B:ASP94 4.8 29.2 1.0 N B:TYR180 4.8 22.6 1.0 N B:GLY136 4.8 21.4 1.0 CA B:GLY178 4.9 27.2 1.0 CA B:CYS182 4.9 23.9 1.0 SG B:CYS182 4.9 28.7 1.0 OE1 B:GLU137 5.0 28.7 1.0

Sodium binding site 2 out of 2 in the Variant G129S of Nuoef From Aquifex Aeolicus - Oxidized From


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Variant G129S of Nuoef From Aquifex Aeolicus - Oxidized From within 5.0Å range: probe atom residue distance (Å) B Occ D:Na503 b:34.5 occ:1.00 O D:HOH668 2.5 26.9 1.0 OD1 D:ASP94 2.6 28.2 1.0 O D:HOH695 2.6 22.7 1.0 O D:ALA179 3.0 28.9 1.0 O D:HOH645 3.2 32.4 1.0 OD2 D:ASP94 3.3 32.0 1.0 CG D:ASP94 3.3 30.2 1.0 N D:ALA179 3.7 30.5 1.0 C D:ALA179 3.8 29.9 1.0 CB D:ARG135 4.0 22.5 1.0 CB D:CYS182 4.0 25.9 1.0 CA D:GLY176 4.1 23.2 1.0 CA D:ARG135 4.1 23.9 1.0 N D:GLY178 4.2 27.0 1.0 N D:ALA177 4.3 27.5 1.0 CA D:ALA179 4.3 29.1 1.0 CE1 D:TYR133 4.5 29.3 1.0 OG D:SER96 4.5 34.3 1.0 C D:GLY178 4.5 35.3 1.0 C D:GLY176 4.6 29.5 1.0 CA D:GLY178 4.7 26.6 1.0 N D:TYR180 4.7 24.6 1.0 OH D:TYR133 4.7 33.8 1.0 CB D:ASP94 4.8 26.1 1.0 N D:GLY136 4.8 25.7 1.0 OE1 D:GLU137 4.8 34.6 1.0 O D:ASP94 4.9 28.3 1.0

M.Schulte, K.Frick, E.Gnandt, S.Jurkovic, S.Burschel, R.Labatzke, K.Aierstock, D.Fiegen, D.Wohlwend, S.Gerhardt, O.Einsle, T.Friedrich. A Mechanism to Prevent Production of Reactive Oxygen Species By Escherichia Coli Respiratory Complex I. Nat Commun V. 10 2551 2019.
ISSN: ESSN 2041-1723
PubMed: 31186428
DOI: 10.1038/S41467-019-10429-0