Potassium 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
Sodium	(Na)	2 atoms
Copper	(Cu)	12 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Potassium 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 Potassium atom.
In total 2 binding sites of Potassium where determined in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, D576A/S550A, PDB code: 7aq0:
Jump to Potassium binding site number: 1; 2;

Potassium 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 Potassium with other atoms in the K 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:K712 b:47.4 occ:1.00 O A:HOH1189 2.4 46.0 1.0 O A:HOH859 2.5 34.4 1.0 O A:LYS454 2.8 20.9 1.0 OE1 A:GLU492 2.9 35.0 1.0 CD A:GLU492 3.7 37.0 1.0 CG A:GLU492 3.7 31.2 1.0 O A:HOH1075 3.8 29.2 1.0 C A:LYS454 3.9 20.1 1.0 NE1 B:TRP620 4.2 33.3 1.0 CD1 B:TRP620 4.2 35.7 1.0 O A:HIS467 4.2 21.7 1.0 OD1 B:ASP580 4.3 53.3 1.0 O B:HOH1066 4.4 37.4 1.0 CA A:LYS454 4.5 23.9 1.0 O A:PRO468 4.7 31.6 1.0 N A:GLU469 4.7 22.9 1.0 CA A:GLU469 4.8 21.4 1.0 C A:PRO468 4.8 26.9 1.0 OE2 A:GLU492 4.8 25.5 1.0 CB A:LYS454 4.9 28.7 1.0 O B:PHE621 4.9 41.3 1.0 N A:PHE455 5.0 18.9 1.0

Potassium 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 Potassium with other atoms in the K 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:K705 b:14.4 occ:0.51 OE1 B:GLU469 2.4 29.6 1.0 O A:HOH946 2.4 29.3 1.0 O B:LYS454 2.5 27.7 1.0 O B:HOH870 2.5 25.1 1.0 O B:HOH1032 2.5 30.8 1.0 O A:HOH866 2.6 22.5 1.0 OE2 B:GLU469 2.9 38.5 1.0 CD B:GLU469 3.0 41.4 1.0 C B:LYS454 3.7 24.8 1.0 CD1 A:TRP620 4.1 30.2 1.0 NE1 A:TRP620 4.3 33.2 1.0 OD1 A:ASP580 4.3 26.9 1.0 CA B:LYS454 4.4 23.8 1.0 O A:HOH990 4.4 27.3 1.0 CG B:GLU469 4.5 37.5 1.0 O B:HIS467 4.5 21.9 1.0 OE1 B:GLU492 4.7 22.6 1.0 N B:PHE455 4.7 24.2 1.0 O A:HOH1030 4.7 26.1 1.0 O B:PRO468 4.8 26.1 1.0 CB B:LYS454 4.8 22.0 1.0 O A:PHE621 4.8 22.8 1.0 CD1 B:PHE455 4.8 24.4 1.0 CA B:PHE455 4.9 23.3 1.0 CA B:GLU469 5.0 20.8 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