Magnesium in PDB 2ztu: T190A Mutant of D-3-Hydroxybutyrate Dehydrogenase Complexed with Nad+

All present enzymatic activity of T190A Mutant of D-3-Hydroxybutyrate Dehydrogenase Complexed with Nad+:
1.1.1.30;

The structure of T190A Mutant of D-3-Hydroxybutyrate Dehydrogenase Complexed with Nad+, PDB code: 2ztu 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 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	73.115, 106.609, 164.849, 90.00, 90.00, 90.00
R / Rfree (%)	23.8 / 26.8

The binding sites of Magnesium atom in the T190A Mutant of D-3-Hydroxybutyrate Dehydrogenase Complexed with Nad+ (pdb code 2ztu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the T190A Mutant of D-3-Hydroxybutyrate Dehydrogenase Complexed with Nad+, PDB code: 2ztu:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the T190A Mutant of D-3-Hydroxybutyrate Dehydrogenase Complexed with Nad+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of T190A Mutant of D-3-Hydroxybutyrate Dehydrogenase Complexed with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg406 b:39.8 occ:1.00 O A:HOH1003 2.3 22.2 1.0 OXT A:ARG260 2.3 35.8 1.0 O D:HOH1006 2.4 35.7 1.0 OXT D:ARG260 2.4 30.0 1.0 O D:HOH1004 2.4 28.9 1.0 O D:HOH1005 2.4 28.6 1.0 C A:ARG260 3.0 35.0 1.0 O A:ARG260 3.1 34.1 1.0 C D:ARG260 3.2 28.8 1.0 O D:ARG260 3.3 29.6 1.0 O A:TRP257 4.2 29.8 1.0 O D:HOH1254 4.3 37.5 1.0 CA A:ARG260 4.4 33.1 1.0 O A:HOH1221 4.5 35.5 1.0 CG1 D:VAL147 4.5 31.2 1.0 CG1 A:VAL147 4.5 27.6 1.0 O A:THR258 4.6 30.1 1.0 CA D:ARG260 4.6 27.6 1.0 O D:TRP257 4.6 22.2 1.0 N A:ARG260 4.7 31.8 1.0 O A:HOH1218 4.7 34.9 1.0 CG A:ARG260 4.8 34.2 1.0 O D:THR258 4.8 23.8 1.0 C A:THR258 4.9 31.8 1.0 CA A:THR258 4.9 31.9 1.0 N D:ARG260 4.9 23.9 1.0

Magnesium binding site 2 out of 2 in the T190A Mutant of D-3-Hydroxybutyrate Dehydrogenase Complexed with Nad+


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of T190A Mutant of D-3-Hydroxybutyrate Dehydrogenase Complexed with Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:66.9 occ:1.00 OXT C:ARG260 2.6 35.1 1.0 O B:HOH1001 2.6 30.2 1.0 O C:HOH1002 2.6 33.0 1.0 OXT B:ARG260 2.8 31.3 1.0 CG1 B:VAL147 3.7 32.7 1.0 C C:ARG260 3.7 34.3 1.0 CG1 C:VAL147 3.7 25.7 1.0 C B:ARG260 3.9 33.0 1.0 O C:THR258 3.9 28.4 1.0 O B:THR258 4.1 33.4 1.0 O C:ARG260 4.2 35.4 1.0 O B:ARG260 4.3 30.8 1.0 C C:THR258 4.5 28.3 1.0 C B:THR258 4.6 34.6 1.0 CA C:THR258 4.7 27.1 1.0 CA B:THR258 4.7 34.4 1.0 CB B:VAL147 4.8 35.0 1.0 CB C:VAL147 4.8 23.8 1.0 CA C:ARG260 5.0 31.9 1.0 N C:ARG260 5.0 30.6 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