Zinc in PDB 1jqa: Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Glycerol

All present enzymatic activity of Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Glycerol:
1.1.1.6;

The structure of Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Glycerol, PDB code: 1jqa was solved by S.N.Ruzheinikov, J.Burke, S.Sedelnikova, P.J.Baker, R.Taylor, P.A.Bullough, N.M.Muir, M.G.Gore, D.W.Rice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.05
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	105.910, 105.910, 149.500, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 20.2

The binding sites of Zinc atom in the Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Glycerol (pdb code 1jqa). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Glycerol, PDB code: 1jqa:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn371 b:22.9 occ:1.00 O3 A:GOL401 2.0 32.1 0.5 O1 A:GOL401 2.0 40.5 0.5 NE2 A:HIS274 2.0 22.1 1.0 OD1 A:ASP173 2.0 19.1 1.0 NE2 A:HIS256 2.1 29.3 1.0 O2 A:GOL401 2.4 36.6 0.5 C3 A:GOL401 2.8 45.2 0.5 CG A:ASP173 2.8 21.2 1.0 OD2 A:ASP173 2.8 29.4 1.0 C1 A:GOL401 2.9 47.8 0.5 CE1 A:HIS274 2.9 39.0 1.0 CE1 A:HIS256 3.0 24.0 1.0 CD2 A:HIS256 3.1 26.1 1.0 CD2 A:HIS274 3.1 31.5 1.0 C2 A:GOL401 3.1 49.5 0.5 C2 A:GOL401 3.2 51.4 0.5 O2 A:GOL401 3.7 36.4 0.5 OD1 A:ASP123 3.9 29.9 1.0 ND1 A:HIS274 4.1 28.2 1.0 ND1 A:HIS256 4.1 28.9 1.0 CG2 A:VAL278 4.2 17.9 1.0 CG A:HIS274 4.2 34.3 1.0 CG A:HIS256 4.2 28.0 1.0 CB A:ASP173 4.3 17.8 1.0 O A:HOH404 4.4 21.9 1.0 C3 A:GOL401 4.5 48.6 0.5 OD2 A:ASP123 4.5 41.2 1.0 CG A:ASP123 4.5 28.1 1.0 C1 A:GOL401 4.6 47.4 0.5 O A:HOH402 4.8 60.7 1.0 CA A:ASP173 4.9 16.2 1.0

Zinc binding site 2 out of 2 in the Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Glycerol


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Glycerol within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn372 b:42.5 occ:0.50 NE2 A:HIS271 2.0 62.7 1.0 OE2 A:GLU268 2.1 48.0 1.0 CD A:GLU268 2.8 47.3 1.0 OE1 A:GLU268 2.8 38.2 1.0 CE1 A:HIS271 3.0 36.7 1.0 CD2 A:HIS271 3.1 34.0 1.0 ND1 A:HIS271 4.1 37.9 1.0 CG A:HIS271 4.2 41.6 1.0 CG A:GLU268 4.3 46.8 1.0 CA A:GLU268 4.7 32.5 1.0 CB A:GLU268 5.0 34.9 1.0

S.N.Ruzheinikov, J.Burke, S.Sedelnikova, P.J.Baker, R.Taylor, P.A.Bullough, N.M.Muir, M.G.Gore, D.W.Rice. Glycerol Dehydrogenase. Structure, Specificity, and Mechanism of A Family III Polyol Dehydrogenase. Structure V. 9 789 2001.
ISSN: ISSN 0969-2126
PubMed: 11566129
DOI: 10.1016/S0969-2126(01)00645-1