Magnesium in PDB 2ztm: T190S Mutant of D-3-Hydroxybutyrate Dehydrogenase

All present enzymatic activity of T190S Mutant of D-3-Hydroxybutyrate Dehydrogenase:
1.1.1.30;

The structure of T190S Mutant of D-3-Hydroxybutyrate Dehydrogenase, PDB code: 2ztm was solved by K.Nakashima, Y.Nakajima, K.Ito, T.Yoshimoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.793, 105.926, 164.495, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 26.6

The binding sites of Magnesium atom in the T190S Mutant of D-3-Hydroxybutyrate Dehydrogenase (pdb code 2ztm). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the T190S Mutant of D-3-Hydroxybutyrate Dehydrogenase, PDB code: 2ztm:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the T190S Mutant of D-3-Hydroxybutyrate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of T190S Mutant of D-3-Hydroxybutyrate Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg406 b:42.1 occ:1.00 OXT D:ARG260 2.4 33.8 1.0 O D:HOH1018 2.4 23.9 1.0 OXT A:ARG260 2.4 35.9 1.0 O D:HOH1318 2.6 49.0 1.0 O A:HOH1167 2.6 38.4 1.0 C A:ARG260 3.4 34.6 1.0 C D:ARG260 3.5 31.7 1.0 CG1 D:VAL147 3.7 34.9 1.0 O A:ARG260 3.8 33.7 1.0 O D:ARG260 4.0 30.0 1.0 CG1 A:VAL147 4.1 26.7 1.0 O D:THR258 4.1 30.9 1.0 O A:THR258 4.5 34.8 1.0 CA D:THR258 4.5 28.3 1.0 C D:THR258 4.5 29.8 1.0 O D:TRP257 4.7 28.9 1.0 CB D:VAL147 4.7 36.4 1.0 CA D:ARG260 4.8 31.7 1.0 CA A:ARG260 4.8 33.9 1.0 N D:ARG260 4.8 30.6 1.0 O A:TRP257 4.8 34.6 1.0 C A:THR258 4.9 35.0 1.0 N A:ARG260 4.9 34.6 1.0 CB A:VAL147 5.0 25.8 1.0 CA A:THR258 5.0 33.4 1.0

Magnesium binding site 2 out of 2 in the T190S Mutant of D-3-Hydroxybutyrate Dehydrogenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of T190S Mutant of D-3-Hydroxybutyrate Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:42.6 occ:1.00 O B:HOH1013 2.3 22.9 1.0 OXT B:ARG260 2.3 35.2 1.0 O C:HOH1102 2.3 34.0 1.0 OXT C:ARG260 2.4 44.5 1.0 O B:HOH1135 2.5 36.4 1.0 O C:HOH1367 2.6 51.0 1.0 C B:ARG260 3.3 36.2 1.0 C C:ARG260 3.3 43.3 1.0 O B:ARG260 3.5 33.2 1.0 O C:ARG260 3.6 44.6 1.0 O B:THR258 4.1 44.0 1.0 CG1 B:VAL147 4.3 36.4 1.0 CG1 C:VAL147 4.3 28.1 1.0 O C:TRP257 4.5 32.1 1.0 O C:THR258 4.6 32.5 1.0 CA C:ARG260 4.6 40.6 1.0 O B:TRP257 4.6 40.9 1.0 CA B:ARG260 4.7 37.9 1.0 C B:THR258 4.8 43.1 1.0 N C:ARG260 4.8 38.3 1.0 CA B:THR258 4.8 42.2 1.0 C C:THR258 4.8 33.9 1.0 CA C:THR258 4.9 31.5 1.0 N B:ARG260 4.9 38.4 1.0 O B:HOH1339 4.9 50.8 1.0

K.Nakashima, K.Ito, Y.Nakajima, R.Yamazawa, S.Miyakawa, T.Yoshimoto. Closed Complex of the D-3-Hydroxybutyrate Dehydrogenase Induced By An Enantiomeric Competitive Inhibitor. J.Biochem. V. 145 467 2009.
ISSN: ISSN 0021-924X
PubMed: 19122202
DOI: 10.1093/JB/MVN186