Zinc in PDB 7aq8: Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583Y/D576A

All present enzymatic activity of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583Y/D576A:
1.7.2.4;

The structure of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583Y/D576A, PDB code: 7aq8 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)	69.43 / 1.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.545, 76.667, 109.062, 90, 93.27, 90
R / Rfree (%)	15.8 / 21.7

The structure of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583Y/D576A also contains other interesting chemical elements:

Potassium	(K)	2 atoms
Calcium	(Ca)	2 atoms
Chlorine	(Cl)	2 atoms
Sodium	(Na)	2 atoms
Copper	(Cu)	8 atoms

The binding sites of Zinc atom in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583Y/D576A (pdb code 7aq8). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583Y/D576A, PDB code: 7aq8:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583Y/D576A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583Y/D576A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn711 b:46.6 occ:0.48 NE2 A:HIS326 2.0 41.6 1.0 O A:HOH1152 2.2 48.6 1.0 O A:HOH1066 2.3 30.6 1.0 NE2 A:HIS382 2.3 52.9 1.0 CD2 A:HIS326 2.9 40.8 1.0 CE1 A:HIS326 3.0 45.6 1.0 CD2 A:HIS382 3.2 52.0 1.0 NE2 A:HIS433 3.3 41.3 1.0 CE1 A:HIS382 3.3 55.7 1.0 ZN A:ZN712 3.4 34.7 0.7 CD2 A:HIS433 3.5 44.6 1.0 NE2 A:HIS494 3.7 30.5 1.0 CE1 A:HIS494 3.7 40.9 1.0 CG A:HIS326 4.1 31.7 1.0 ND1 A:HIS326 4.1 42.0 1.0 CE1 A:HIS433 4.3 44.6 1.0 CG A:HIS382 4.4 46.9 1.0 ND1 A:HIS382 4.4 53.1 1.0 CE B:MET627 4.4 110.9 1.0 ND2 A:ASN241 4.4 34.1 1.0 CG A:HIS433 4.5 41.0 1.0 CE2 B:PHE621 4.9 68.0 1.0 ND1 A:HIS494 4.9 45.1 1.0 CD2 A:HIS494 4.9 40.2 1.0 ND1 A:HIS433 4.9 40.4 1.0

Zinc binding site 2 out of 2 in the Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583Y/D576A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Pseudomonas Stutzeri Nitrous Oxide Reductase Mutant, H583Y/D576A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn712 b:34.7 occ:0.70 O A:HOH1066 2.0 30.6 1.0 NE2 A:HIS433 2.1 41.3 1.0 NE2 A:HIS494 2.2 30.5 1.0 NE2 A:HIS130 2.2 26.2 1.0 CD2 A:HIS494 2.7 40.2 1.0 O A:HOH802 2.8 53.2 1.0 CD2 A:HIS433 3.0 44.6 1.0 CE1 A:HIS433 3.1 44.6 1.0 CE1 A:HIS130 3.2 23.7 1.0 CD2 A:HIS130 3.2 18.9 1.0 CE1 A:HIS494 3.3 40.9 1.0 ZN A:ZN711 3.4 46.6 0.5 CG A:HIS494 3.9 36.9 1.0 OD1 A:ASN241 4.1 46.2 1.0 NE2 A:HIS382 4.1 52.9 1.0 ND1 A:HIS494 4.2 45.1 1.0 CG A:HIS433 4.2 41.0 1.0 ND1 A:HIS433 4.2 40.4 1.0 CE1 A:HIS178 4.2 54.3 1.0 NE2 A:HIS178 4.2 50.0 1.0 ND1 A:HIS130 4.3 30.7 1.0 CG A:HIS130 4.3 22.3 1.0 CE1 A:HIS382 4.4 55.7 1.0 CB A:HIS129 4.4 20.5 1.0 O A:HOH1152 4.6 48.6 1.0 ND2 A:ASN241 4.6 34.1 1.0 NE2 A:HIS326 4.7 41.6 1.0 O A:HOH1053 4.7 48.9 1.0 CG A:ASN241 4.8 29.1 1.0 CE B:MET627 4.9 110.9 1.0 CG A:HIS129 4.9 31.7 1.0 CD2 A:HIS129 5.0 34.9 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