Atomistry » Magnesium » PDB 4um7-4uux » 4usa
Atomistry »
  Magnesium »
    PDB 4um7-4uux »
      4usa »

Magnesium in PDB 4usa: Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde

Enzymatic activity of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde

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

Protein crystallography data

The structure of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde, PDB code: 4usa 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) 123.97 / 1.13
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 143.143, 143.143, 161.954, 90.00, 90.00, 120.00
R / Rfree (%) 10.165 / 12.172

Other elements in 4usa:

The structure of Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde 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 Trans-Cinnamaldehyde (pdb code 4usa). 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 Trans-Cinnamaldehyde, PDB code: 4usa:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4usa

Go back to Magnesium Binding Sites List in 4usa
Magnesium binding site 1 out of 4 in the Aldehyde Oxidoreductase From Desulfovibrio Gigas (Mop), Soaked with Trans-Cinnamaldehyde


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 Trans-Cinnamaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg915

b:11.2
occ:1.00
 OE2 A:GLU903 2.0 12.4 1.0
O A:HOH3376 2.1 13.9 1.0
OE2 A:GLU899 2.1 11.4 1.0
CD A:GLU903 3.1 14.1 1.0
CD A:GLU899 3.2 11.9 1.0
CG A:GLU899 3.5 11.4 1.0
CG A:GLU903 3.6 11.9 1.0
O A:HOH3375 3.9 23.9 1.0
OE1 A:GLU903 4.1 22.7 1.0
O A:HOH3377 4.2 47.3 1.0
OE1 A:GLU899 4.3 14.2 1.0
O A:HOH3382 4.8 40.2 1.0
O A:HOH3373 4.8 22.9 1.0

Magnesium binding site 2 out of 4 in 4usa

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


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 Trans-Cinnamaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg916

b:24.1
occ:1.00
 O A:HOH2270 2.0 30.3 1.0
O A:HOH3393 2.0 34.7 1.0
O A:HOH2275 2.1 20.2 1.0
O A:HOH2448 2.1 31.9 1.0
O A:HOH3392 2.1 31.3 1.0
O A:HOH3394 2.2 31.0 1.0
O A:HOH2274 4.1 31.5 1.0
OE2 A:GLU162 4.2 22.8 1.0
O A:LEU85 4.2 13.2 1.0
OE1 A:GLU162 4.4 24.6 1.0
O A:HOH2106 4.4 34.8 1.0
O A:HOH2826 4.5 37.3 1.0
O A:HOH2248 4.5 15.4 1.0
CD A:PRO87 4.6 12.2 1.0
CD A:GLU162 4.7 20.6 1.0
OD1 A:ASN84 4.8 21.1 1.0

Magnesium binding site 3 out of 4 in 4usa

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


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 Trans-Cinnamaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg917

b:20.4
occ:1.00
 O A:HOH2998 2.1 15.4 1.0
O A:HOH3399 2.1 26.6 1.0
O A:HOH3398 2.1 21.4 1.0
O A:HOH3397 2.1 27.6 1.0
O A:HOH3395 2.1 23.5 1.0
O A:HOH3396 2.1 23.9 1.0
O A:HOH3000 4.0 23.2 1.0
O A:HOH2477 4.2 14.1 1.0
O A:HOH3046 4.2 21.0 1.0
O A:HOH2451 4.2 33.4 1.0
O A:HOH2478 4.2 19.6 1.0
O A:HOH2999 4.3 14.5 1.0
OD1 A:ASP572 4.4 11.7 1.0
O A:HOH3039 4.7 25.7 1.0
OD1 A:ASN511 4.8 14.3 1.0
O A:HOH2525 4.9 29.1 1.0

Magnesium binding site 4 out of 4 in 4usa

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


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 Trans-Cinnamaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg918

b:19.3
occ:1.00
 O A:HOH3323 2.0 20.9 1.0
O A:HOH3400 2.0 18.5 1.0
O A:HOH3324 2.1 21.4 1.0
O A:HOH3403 2.1 20.0 1.0
O A:HOH3402 2.1 24.0 1.0
O A:HOH3401 2.1 24.5 1.0
O A:HOH2758 4.1 22.2 1.0
O A:HOH2812 4.1 35.9 1.0
OD2 A:ASP826 4.1 12.9 0.7
O A:HOH2816 4.2 21.5 1.0
OD1 A:ASP826 4.3 13.8 0.7
O A:HOH2828 4.3 42.3 1.0
O A:HOH3316 4.3 15.3 1.0
O A:HOH3332 4.4 18.0 1.0
O A:HOH2762 4.4 20.5 1.0
O A:HOH3322 4.4 28.5 1.0
O A:HOH2757 4.5 37.3 1.0
CG A:ASP826 4.6 11.3 0.7

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 04:58:30 2024

Last articles

Cl in 3SM4
Cl in 3SM9
Cl in 3SGH
Cl in 3SLP
Cl in 3SLL
Cl in 3SLH
Cl in 3SLF
Cl in 3SKH
Cl in 3SIY
Cl in 3SJX
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy