Magnesium in PDB 4x0u: Structure ALDH7A1 Inactivated By 4-Diethylaminobenzaldehyde

All present enzymatic activity of Structure ALDH7A1 Inactivated By 4-Diethylaminobenzaldehyde:
1.2.1.3; 1.2.1.31; 1.2.1.8;

The structure of Structure ALDH7A1 Inactivated By 4-Diethylaminobenzaldehyde, PDB code: 4x0u was solved by M.Luo, J.J.Tanner, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.49 / 1.95
Space group	F 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	161.543, 219.407, 233.231, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 22.7

The binding sites of Magnesium atom in the Structure ALDH7A1 Inactivated By 4-Diethylaminobenzaldehyde (pdb code 4x0u). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure ALDH7A1 Inactivated By 4-Diethylaminobenzaldehyde, PDB code: 4x0u:

Magnesium binding site 1 out of 1 in the Structure ALDH7A1 Inactivated By 4-Diethylaminobenzaldehyde


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure ALDH7A1 Inactivated By 4-Diethylaminobenzaldehyde within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg602 b:43.3 occ:1.00 OD2 D:ASP124 2.1 23.5 1.0 O C:HOH703 2.3 30.2 1.0 OE1 D:GLU121 2.3 46.9 1.0 O D:HOH839 2.3 41.7 1.0 O D:HOH710 2.3 32.2 1.0 O C:HOH704 2.4 38.8 1.0 CG D:ASP124 3.2 22.8 1.0 CD D:GLU121 3.3 44.9 1.0 OE2 D:GLU121 3.7 45.5 1.0 CB D:ASP124 3.8 22.1 1.0 O D:HOH810 4.2 26.7 1.0 O D:HOH724 4.2 42.3 1.0 OD1 D:ASP124 4.3 25.0 1.0 OE1 C:GLU144 4.3 55.1 1.0 CG D:GLU121 4.5 37.3 1.0 O D:PHE468 4.5 53.0 1.0 OE2 C:GLU144 4.6 60.5 1.0 CA D:GLU121 4.6 21.8 1.0 O D:GLN120 4.8 19.9 1.0 CD C:GLU144 4.9 56.9 1.0

M.Luo, K.S.Gates, M.T.Henzl, J.J.Tanner. Diethylaminobenzaldehyde Is A Covalent, Irreversible Inactivator of ALDH7A1. Acs Chem.Biol. 2015.
ISSN: ESSN 1554-8937
PubMed: 25554827
DOI: 10.1021/CB500977Q