Sodium in PDB 7aq0: Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, D576A/S550A

All present enzymatic activity of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, D576A/S550A:
1.7.2.4;

The structure of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, D576A/S550A, PDB code: 7aq0 was solved by L.Zhang, E.Bill, P.M.H.Kroneck, O.Einsle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.34 / 1.58
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.216, 76.715, 108.996, 90, 93.33, 90
R / Rfree (%)	16 / 20.1

The structure of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, D576A/S550A also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Potassium	(K)	2 atoms
Copper	(Cu)	12 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Sodium atom in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, D576A/S550A (pdb code 7aq0). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, D576A/S550A, PDB code: 7aq0:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, D576A/S550A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, D576A/S550A within 5.0Å range: probe atom residue distance (Å) B Occ A:Na702 b:15.9 occ:0.69 O A:HOH1291 2.3 31.6 1.0 O A:HOH1048 2.3 26.5 1.0 O A:MET168 2.3 15.5 1.0 O A:HOH1219 2.4 24.7 1.0 O A:HOH1023 2.5 13.2 1.0 O A:HOH1140 2.5 24.9 1.0 C A:MET168 3.6 14.4 1.0 O A:HOH1137 3.8 56.5 1.0 O A:HOH1190 3.9 34.0 1.0 O A:HOH1302 4.0 41.0 1.0 O A:ILE116 4.1 13.8 1.0 N A:MET168 4.1 13.4 1.0 O A:HOH868 4.1 30.4 1.0 O A:HOH1277 4.3 31.2 1.0 CA A:MET168 4.4 10.0 1.0 O A:HOH1128 4.5 17.2 1.0 N A:ILE169 4.5 12.2 1.0 CA A:ILE169 4.5 15.8 1.0 O A:HOH1184 4.6 29.4 1.0 CB A:ILE169 4.9 18.2 1.0

Sodium binding site 2 out of 2 in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, D576A/S550A


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, D576A/S550A within 5.0Å range: probe atom residue distance (Å) B Occ B:Na703 b:20.1 occ:0.58 O B:HOH1142 2.2 38.9 1.0 O B:HOH1097 2.3 31.4 1.0 O B:MET168 2.4 19.9 1.0 O B:HOH1195 2.4 40.2 1.0 O B:HOH1031 2.4 33.0 1.0 O B:HOH989 2.6 18.6 1.0 C B:MET168 3.6 18.3 1.0 N B:MET168 4.1 15.6 1.0 O B:ILE116 4.1 16.8 1.0 O B:HOH1138 4.2 47.6 1.0 N B:ILE169 4.4 15.3 1.0 CA B:ILE169 4.4 15.9 1.0 O B:HOH1140 4.5 37.3 1.0 CA B:MET168 4.5 13.7 1.0 O B:HOH1183 4.5 37.8 1.0 O B:HOH1039 4.6 22.6 1.0 CB B:ILE169 4.8 23.2 1.0 O B:MET227 5.0 25.5 1.0

L.Zhang, E.Bill, P.M.H.Kroneck, O.Einsle. Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc. 2020.
ISSN: ESSN 1520-5126
PubMed: 33377777
DOI: 10.1021/JACS.0C10057