Zinc in PDB 1nrx: Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+ and Nad

All present enzymatic activity of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+ and Nad:
4.2.3.4;

The structure of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+ and Nad, PDB code: 1nrx was solved by C.E.Nichols, J.Ren, H.K.Lamb, A.R.Hawkins, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.36 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.400, 83.500, 149.000, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 29.4

The structure of Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+ and Nad also contains other interesting chemical elements:

Chlorine

(Cl)

14 atoms

The binding sites of Zinc atom in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+ and Nad (pdb code 1nrx). 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) in Complex with ZN2+ and Nad, PDB code: 1nrx:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+ and Nad


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) in Complex with ZN2+ and Nad within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn600 b:0.8 occ:1.00 NE2 A:HIS287 2.8 61.1 1.0 OE2 A:GLU194 2.9 62.6 1.0 NE2 A:HIS271 2.9 34.4 1.0 CD A:GLU194 3.1 50.6 1.0 CD2 A:HIS287 3.2 53.0 1.0 OE1 A:GLU194 3.5 47.3 1.0 OD2 A:ASP146 3.6 41.9 1.0 CG A:GLU194 3.8 38.1 1.0 CE1 A:HIS271 3.8 35.4 1.0 CD2 A:HIS271 3.9 22.0 1.0 CE1 A:HIS287 4.0 59.9 1.0 C5N A:NAD400 4.2 50.4 1.0 CG A:HIS287 4.5 42.4 1.0 CG A:ASP146 4.6 41.5 1.0 CD1 A:LEU142 4.6 27.8 1.0 ND1 A:HIS287 4.8 47.4 1.0 C6N A:NAD400 4.9 38.6 1.0 CG2 A:VAL291 4.9 52.8 1.0 ND1 A:HIS271 5.0 22.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of 3-Dehydroquinate Synthase (Dhqs) in Complex with ZN2+ and Nad


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) in Complex with ZN2+ and Nad within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1601 b:67.0 occ:1.00 OE2 B:GLU194 2.6 43.7 1.0 NE2 B:HIS287 2.6 42.3 1.0 NE2 B:HIS271 2.7 21.2 1.0 CD B:GLU194 2.9 38.9 1.0 CD2 B:HIS287 2.9 27.5 1.0 OE1 B:GLU194 3.4 45.8 1.0 CE1 B:HIS271 3.6 34.6 1.0 CG B:GLU194 3.7 40.2 1.0 CD2 B:HIS271 3.7 30.5 1.0 CE1 B:HIS287 3.9 51.3 1.0 OD2 B:ASP146 4.0 31.9 1.0 CG B:HIS287 4.3 32.5 1.0 C5N B:NAD401 4.6 53.4 1.0 CG2 B:VAL291 4.6 16.3 1.0 CD1 B:LEU142 4.6 41.1 1.0 ND1 B:HIS287 4.7 39.7 1.0 ND1 B:HIS271 4.8 37.1 1.0 CG B:HIS271 4.9 32.4 1.0 CG B:ASP146 4.9 36.9 1.0

C.E.Nichols, J.Ren, H.K.Lamb, A.R.Hawkins, D.K.Stammers. Ligand-Induced Conformational Changes and A Mechanism For Domain Closure in Aspergillus Nidulans Dehydroquinate Synthase J.Mol.Biol. V. 327 129 2003.
ISSN: ISSN 0022-2836
PubMed: 12614613
DOI: 10.1016/S0022-2836(03)00086-X