Zinc in PDB 1jq5: Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Nad+

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

The structure of Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Nad+, PDB code: 1jq5 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 / 1.70
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	104.660, 104.660, 148.510, 90.00, 90.00, 90.00
R / Rfree (%)	15.1 / 19

The binding sites of Zinc atom in the Bacillus Stearothermophilus Glycerol Dehydrogenase Complex with Nad+ (pdb code 1jq5). 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 Nad+, PDB code: 1jq5:
Jump to Zinc binding site number: 1; 2;

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


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 Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn371 b:17.9 occ:1.00 O A:HOH402 1.9 29.9 1.0 OD1 A:ASP173 2.0 18.1 1.0 NE2 A:HIS256 2.0 17.3 1.0 NE2 A:HIS274 2.1 22.1 1.0 CG A:ASP173 2.7 18.6 1.0 OD2 A:ASP173 2.7 17.6 1.0 CE1 A:HIS256 2.9 17.0 1.0 CE1 A:HIS274 3.0 27.9 1.0 CD2 A:HIS274 3.1 22.7 1.0 CD2 A:HIS256 3.1 16.8 1.0 OD1 A:ASP123 3.7 24.2 1.0 O A:HOH403 3.9 40.2 1.0 O A:HOH637 3.9 69.2 1.0 CG2 A:VAL278 4.0 16.8 1.0 C5N A:NAD401 4.0 25.7 1.0 ND1 A:HIS256 4.1 15.6 1.0 ND1 A:HIS274 4.1 27.4 1.0 CB A:ASP173 4.1 11.9 1.0 CG A:HIS256 4.2 16.4 1.0 CG A:HIS274 4.2 24.8 1.0 CG A:ASP123 4.4 23.9 1.0 OD2 A:ASP123 4.4 27.2 1.0 O A:HOH404 4.6 20.3 1.0 C6N A:NAD401 4.7 26.2 1.0 CA A:ASP173 4.8 12.8 1.0 C4N A:NAD401 4.8 33.6 1.0 CG1 A:VAL278 4.9 15.3 1.0 CB A:VAL278 4.9 12.9 1.0

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


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 Nad+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn372 b:28.9 occ:0.50 NE2 A:HIS271 1.9 31.9 1.0 OE2 A:GLU268 2.0 30.4 1.0 CD2 A:HIS271 2.8 24.5 1.0 CD A:GLU268 2.9 35.8 1.0 OE1 A:GLU268 3.0 42.5 1.0 CE1 A:HIS271 3.0 33.3 1.0 CG A:HIS271 4.0 32.4 1.0 ND1 A:HIS271 4.1 34.3 1.0 O A:HOH658 4.1 42.5 1.0 CG A:GLU268 4.3 39.9 1.0 CA A:GLU268 4.7 27.1 1.0 CB A:GLU268 5.0 23.8 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