Zinc in PDB 3qbe: Crystal Structure of the 3-Dehydroquinate Synthase (Arob) From Mycobacterium Tuberculosis

All present enzymatic activity of Crystal Structure of the 3-Dehydroquinate Synthase (Arob) From Mycobacterium Tuberculosis:
4.2.3.4;

The structure of Crystal Structure of the 3-Dehydroquinate Synthase (Arob) From Mycobacterium Tuberculosis, PDB code: 3qbe was solved by W.C.Cheng, Y.H.Wen, W.C.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.07
Space group	I 41
Cell size a, b, c (Å), α, β, γ (°)	140.318, 140.318, 38.408, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 24.8

The structure of Crystal Structure of the 3-Dehydroquinate Synthase (Arob) From Mycobacterium Tuberculosis also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the Crystal Structure of the 3-Dehydroquinate Synthase (Arob) From Mycobacterium Tuberculosis (pdb code 3qbe). 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 the 3-Dehydroquinate Synthase (Arob) From Mycobacterium Tuberculosis, PDB code: 3qbe:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the 3-Dehydroquinate Synthase (Arob) From Mycobacterium Tuberculosis


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 the 3-Dehydroquinate Synthase (Arob) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn400 b:42.9 occ:1.00 OE2 A:GLU186 2.1 28.5 1.0 NE2 A:HIS249 2.2 21.0 1.0 NE2 A:HIS265 2.3 27.3 1.0 CD A:GLU186 3.0 23.8 1.0 CD2 A:HIS249 3.2 23.3 1.0 CE1 A:HIS249 3.2 16.9 1.0 CD2 A:HIS265 3.2 31.3 1.0 CE1 A:HIS265 3.3 29.3 1.0 OE1 A:GLU186 3.4 27.4 1.0 OD2 A:ASP138 3.7 40.1 1.0 CG2 A:VAL269 4.2 20.8 1.0 CG A:GLU186 4.3 25.0 1.0 ND1 A:HIS249 4.3 19.9 1.0 CG A:HIS249 4.3 24.6 1.0 ND1 A:HIS265 4.4 29.9 1.0 CG A:HIS265 4.4 29.0 1.0 CG A:ASP138 4.8 32.2 1.0 NZ A:LYS189 4.9 22.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the 3-Dehydroquinate Synthase (Arob) From Mycobacterium Tuberculosis


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 the 3-Dehydroquinate Synthase (Arob) From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:63.1 occ:1.00 N A:GLY107 3.2 26.1 1.0 CL A:CL500 3.4 51.4 1.0 OG1 A:THR132 3.6 24.9 1.0 CD2 A:LEU134 3.7 33.8 1.0 CA A:GLY106 4.0 25.4 1.0 CA A:GLY107 4.0 26.3 1.0 C A:GLY106 4.1 26.2 1.0 CG2 A:THR132 4.2 25.3 1.0 CB A:THR132 4.2 24.5 1.0 CG A:LEU134 4.4 28.8 1.0 CB A:LEU134 4.4 23.9 1.0 N A:ALA108 4.8 26.3 1.0 N A:GLY135 4.8 22.9 1.0 C A:GLY107 5.0 27.3 1.0

W.C.Cheng, T.J.Chen, W.C.Wang. Crystal Structure of the 3-Dehydroquinate Synthase (Arob) From Mycobacterium Tuberculosis To Be Published.