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Magnesium in PDB 4us9: Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde

Enzymatic activity of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde

All present enzymatic activity of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde:
1.2.99.7;

Protein crystallography data

The structure of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde, PDB code: 4us9 was solved by H.D.Correia, M.J.Romao, T.Santos-Silva, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 124.51 / 1.40
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 143.766, 143.766, 162.544, 90.00, 90.00, 120.00
R / Rfree (%) 9.343 / 11.696

Other elements in 4us9:

The structure of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde also contains other interesting chemical elements:

Molybdenum (Mo) 1 atom
Iron (Fe) 4 atoms
Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde (pdb code 4us9). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde, PDB code: 4us9:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4us9

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Magnesium binding site 1 out of 4 in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg915

b:23.2
occ:1.00
 O A:HOH3348 2.0 31.7 1.0
O A:HOH2277 2.0 26.9 1.0
O A:HOH2282 2.1 17.6 1.0
O A:HOH3349 2.1 27.8 1.0
O A:HOH2435 2.1 29.1 1.0
O A:HOH3347 2.2 30.8 1.0
O A:HOH2281 4.2 28.7 1.0
O A:LEU85 4.2 11.0 1.0
OE2 A:GLU162 4.2 19.3 1.0
O A:HOH2099 4.4 32.9 1.0
OE1 A:GLU162 4.4 21.9 1.0
O A:HOH2776 4.4 34.5 1.0
CD A:PRO87 4.5 8.8 1.0
O A:HOH2253 4.5 13.4 1.0
CD A:GLU162 4.8 18.4 1.0
OD1 A:ASN84 4.8 18.9 1.0

Magnesium binding site 2 out of 4 in 4us9

Go back to Magnesium Binding Sites List in 4us9
Magnesium binding site 2 out of 4 in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg916

b:14.7
occ:0.70
 O A:HOH3282 2.0 22.5 1.0
O A:HOH3353 2.0 18.1 1.0
O A:HOH3350 2.1 20.8 1.0
O A:HOH3352 2.1 27.3 1.0
O A:HOH3283 2.1 23.7 1.0
O A:HOH3351 2.2 24.8 1.0
O A:HOH2760 4.1 38.0 1.0
OD2 A:ASP826 4.1 8.4 0.5
O A:HOH2725 4.1 19.7 1.0
OD1 A:ASP826 4.2 8.3 0.5
O A:HOH2764 4.3 20.6 1.0
O A:HOH3274 4.3 13.1 1.0
O A:HOH2726 4.3 21.2 1.0
O A:HOH3289 4.4 19.0 1.0
O A:HOH3281 4.4 26.8 1.0
CG A:ASP826 4.6 7.0 0.5

Magnesium binding site 3 out of 4 in 4us9

Go back to Magnesium Binding Sites List in 4us9
Magnesium binding site 3 out of 4 in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg917

b:8.8
occ:1.00
 OE2 A:GLU903 2.1 9.9 1.0
O A:HOH3337 2.1 10.7 1.0
O A:HOH3331 2.1 11.4 1.0
OE2 A:GLU899 2.1 8.7 1.0
CD A:GLU903 3.1 11.5 1.0
CD A:GLU899 3.2 9.7 1.0
CG A:GLU899 3.6 8.7 1.0
CG A:GLU903 3.6 9.9 1.0
O A:HOH3329 4.0 22.0 1.0
OE1 A:GLU903 4.2 17.6 1.0
O A:HOH3330 4.3 27.7 1.0
OE1 A:GLU899 4.3 12.2 1.0
O A:HOH3338 4.8 38.6 1.0
O A:HOH3327 4.9 20.5 1.0

Magnesium binding site 4 out of 4 in 4us9

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Magnesium binding site 4 out of 4 in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with 3-Phenylpropionaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg918

b:18.3
occ:1.00
 O A:HOH3358 2.1 21.4 1.0
O A:HOH3357 2.1 24.4 1.0
O A:HOH3356 2.1 18.2 1.0
O A:HOH2963 2.1 12.6 1.0
O A:HOH3354 2.1 19.7 1.0
O A:HOH3355 2.2 21.3 1.0
O A:HOH3019 4.0 20.0 1.0
O A:HOH2443 4.2 11.6 1.0
O A:HOH2422 4.2 30.4 1.0
O A:HOH3011 4.2 18.1 1.0
O A:HOH2444 4.3 17.3 1.0
O A:HOH2964 4.3 11.1 1.0
OD1 A:ASP572 4.4 9.4 1.0
O A:HOH3005 4.7 24.4 1.0
OD1 A:ASN511 4.8 11.4 1.0
O A:HOH2493 4.9 27.8 1.0

Reference:

H.D.Correia, J.Marangon, C.D.Brondino, J.J.G.Moura, M.J.Romao, P.J.Gonzalez, T.Santos-Silva. Aromatic Aldehydes at the Active Site of Aldehyde Oxidoreductase From Desulfovibrio Gigas: Reactivity and Molecular Details of the Enzyme-Substrate and Enzyme- Product Interaction. J.Biol.Inorg.Chem. 2014.
ISSN: ESSN 1432-1327
PubMed: 25261288
DOI: 10.1007/S00775-014-1196-4
Page generated: Tue Aug 20 04:58:28 2024

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