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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 7aq8:

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

Zinc Binding Sites:

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 7aq8

Go back to Zinc Binding Sites List in 7aq8
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 7aq8

Go back to Zinc Binding Sites List in 7aq8
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

Reference:

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
Page generated: Mon Jan 25 16:40:31 2021

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