Magnesium in PDB 1geg: Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase

All present enzymatic activity of Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase:
1.1.1.5;

The structure of Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase, PDB code: 1geg was solved by M.Otagiri, G.Kurisu, S.Ui, M.Kusunoki, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.160, 109.780, 127.280, 90.00, 102.29, 90.00
R / Rfree (%)	19.3 / 20.9

The binding sites of Magnesium atom in the Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase (pdb code 1geg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase, PDB code: 1geg:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2000 b:27.1 occ:1.00 O A:HOH2108 2.1 28.7 1.0 O A:HOH2110 2.1 32.6 1.0 O A:HOH2111 2.1 23.8 1.0 O A:HOH2112 2.2 25.9 1.0 O A:HOH2109 2.2 27.6 1.0 OE2 A:GLU96 4.1 18.4 1.0 OE1 A:GLU148 4.1 14.0 1.0 O B:HOH2516 4.2 20.5 1.0 OE2 A:GLU148 4.2 13.9 1.0 OE1 A:GLU96 4.4 18.1 1.0 CD A:GLU148 4.6 13.3 1.0 CD A:GLU96 4.7 18.2 1.0 CB A:PRO94 4.9 15.6 1.0

Magnesium binding site 2 out of 4 in the Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:31.5 occ:1.00 O A:HOH2060 4.1 19.5 1.0 OE1 B:GLU148 4.1 16.2 1.0 OE1 B:GLU96 4.1 18.6 1.0 OE2 B:GLU148 4.2 15.7 1.0 OE2 B:GLU96 4.4 18.3 1.0 CD B:GLU148 4.6 15.1 1.0 CB B:PRO94 4.7 15.4 1.0 CD B:GLU96 4.7 18.2 1.0 O B:HOH2514 4.8 25.4 1.0

Magnesium binding site 3 out of 4 in the Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg2002 b:36.6 occ:1.00 OE2 G:GLU96 3.7 17.0 1.0 O H:HOH8499 4.2 15.5 1.0 OE1 G:GLU96 4.3 16.4 1.0 OE2 G:GLU148 4.4 14.2 1.0 O H:HOH8519 4.4 25.1 1.0 CD G:GLU96 4.5 16.2 1.0 OE1 G:GLU148 4.5 14.6 1.0 CB G:PRO94 4.7 12.5 1.0 CD G:GLU148 4.9 13.6 1.0

Magnesium binding site 4 out of 4 in the Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Cryatal Structure Analysis of Meso-2,3-Butanediol Dehydrogenase within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg2003 b:29.9 occ:1.00 OE1 H:GLU96 3.8 16.7 1.0 O G:HOH7490 4.1 13.3 1.0 OE2 H:GLU96 4.3 16.2 1.0 OE1 H:GLU148 4.3 14.5 1.0 OE2 H:GLU148 4.4 14.0 1.0 CD H:GLU96 4.5 16.2 1.0 CB H:PRO94 4.7 12.6 1.0 CD H:GLU148 4.8 13.3 1.0

M.Otagiri, G.Kurisu, S.Ui, Y.Takusagawa, M.Ohkuma, T.Kudo, M.Kusunoki. Crystal Structure of Meso-2,3-Butanediol Dehydrogenase in A Complex with Nad+ and Inhibitor Mercaptoethanol at 1.7 A Resolution For Understanding of Chiral Substrate Recognition Mechanisms. J.Biochem. V. 129 205 2001.
ISSN: ISSN 0021-924X
PubMed: 11173520
DOI: 10.1093/OXFORDJOURNALS.JBCHEM.A002845