Zinc in PDB 3clh: Crystal Structure of 3-Dehydroquinate Synthase (Dhqs)From Helicobacter Pylori

All present enzymatic activity of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs)From Helicobacter Pylori:
4.2.3.4;

The structure of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs)From Helicobacter Pylori, PDB code: 3clh was solved by W.C.Wang, J.S.Liu, W.C.Cheng, H.J.Wang, Y.C.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.40
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	158.294, 158.294, 97.387, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 25.8

The binding sites of Zinc atom in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs)From Helicobacter Pylori (pdb code 3clh). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs)From Helicobacter Pylori, PDB code: 3clh:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs)From Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs)From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn344 b:0.9 occ:1.00 O A:HOH498 2.2 36.1 1.0 NE2 A:HIS248 3.0 34.2 1.0 CD2 A:HIS248 3.1 31.6 1.0 CE1 A:HIS248 3.1 35.0 1.0 C2D A:NAD400 3.2 19.4 1.0 CG A:HIS248 3.3 31.8 1.0 ND1 A:HIS248 3.3 32.6 1.0 C6N A:NAD400 3.5 26.1 1.0 C3D A:NAD400 3.8 18.9 1.0 O2D A:NAD400 4.0 21.3 1.0 N1N A:NAD400 4.0 21.2 1.0 C5N A:NAD400 4.1 20.4 1.0 C1D A:NAD400 4.2 20.3 1.0 CB A:HIS248 4.2 30.6 1.0 O A:HOH453 4.7 36.6 1.0 C4D A:NAD400 4.7 18.0 1.0 O3D A:NAD400 4.8 21.1 1.0 O4D A:NAD400 4.8 20.8 1.0 C5D A:NAD400 4.9 18.1 1.0 C2N A:NAD400 5.0 21.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs)From Helicobacter Pylori


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs)From Helicobacter Pylori within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn344 b:0.0 occ:1.00 CE1 B:HIS248 3.1 30.9 1.0 CE1 B:HIS231 3.1 51.0 1.0 ND1 B:HIS248 3.8 32.1 1.0 NE2 B:HIS231 3.9 49.8 1.0 C5N B:NAD401 3.9 23.6 1.0 OE1 B:GLU174 4.0 35.2 1.0 NE2 B:HIS248 4.0 29.8 1.0 ND1 B:HIS231 4.1 51.5 1.0 C6N B:NAD401 4.2 25.9 1.0 OE2 B:GLU174 4.2 36.5 1.0 CD B:GLU174 4.4 33.9 1.0 NZ B:LYS177 4.4 27.4 1.0 OD2 B:ASP126 4.4 23.9 1.0 C4N B:NAD401 4.9 24.1 1.0 CG B:HIS248 5.0 35.4 1.0 CD2 B:LEU122 5.0 26.3 1.0

J.S.Liu, W.C.Cheng, H.J.Wang, Y.C.Chen, W.C.Wang. Structure-Based Inhibitor Discovery of Helicobacter Pylori Dehydroquinate Synthase. Biochem.Biophys.Res.Commun. V. 373 1 2008.
ISSN: ISSN 0006-291X
PubMed: 18503755
DOI: 10.1016/J.BBRC.2008.05.070