Magnesium in PDB 1wmb: Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase

All present enzymatic activity of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase:
1.1.1.30;

The structure of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase, PDB code: 1wmb was solved by K.Ito, Y.Nakajima, E.Ichihara, K.Ogawa, T.Yoshimoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	64.336, 99.025, 110.229, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 24.7

The structure of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase also contains other interesting chemical elements:

Arsenic

(As)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase (pdb code 1wmb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase, PDB code: 1wmb:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1301 b:1.0 occ:1.00 O A:HOH1314 2.2 11.8 1.0 O A:HOH1305 2.2 6.1 1.0 OD2 A:ASP38 2.3 25.9 1.0 OD1 A:ASP38 2.8 25.4 1.0 CG A:ASP38 2.8 25.2 1.0 CB A:ALA40 4.1 20.3 1.0 CB A:ASP38 4.3 23.7 1.0 O A:HOH1467 4.4 35.2 1.0 N A:ALA40 4.5 21.6 1.0 CA A:ASP38 4.8 22.8 1.0 N A:ALA39 4.8 22.2 1.0 CA A:ALA40 5.0 20.4 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Nad Dependent D-3-Hydroxybutylate Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2301 b:1.3 occ:1.00 O B:HOH2306 2.2 10.0 1.0 O B:HOH2304 2.3 4.5 1.0 OD2 B:ASP38 2.3 28.7 1.0 OD1 B:ASP38 2.9 24.4 1.0 CG B:ASP38 2.9 24.9 1.0 O B:HOH2366 4.0 22.5 1.0 O B:HOH2413 4.2 34.1 1.0 CB B:ALA40 4.2 26.1 1.0 CB B:ASP38 4.4 25.3 1.0 N B:ALA40 4.6 23.3 1.0 N B:ALA39 4.9 22.2 1.0 CA B:ASP38 4.9 24.4 1.0

K.Ito, Y.Nakajima, E.Ichihara, K.Ogawa, N.Katayama, K.Nakashima, T.Yoshimoto. D-3-Hydroxybutyrate Dehydrogenase From Pseudomonas Fragi: Molecular Cloning of the Enzyme Gene and Crystal Structure of the Enzyme J.Mol.Biol. V. 355 722 2006.
ISSN: ISSN 0022-2836
PubMed: 16325199
DOI: 10.1016/J.JMB.2005.10.072