Zinc in PDB 8dq9: Crystal Structure of Gdp Bound 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca

The structure of Crystal Structure of Gdp Bound 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca, PDB code: 8dq9 was solved by Seattle Structural Genomics Center For Infectious Disease, Seattlestructural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.94 / 2.80
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.342, 89.761, 223.744, 90, 90, 90
R / Rfree (%)	23 / 27.9

The structure of Crystal Structure of Gdp Bound 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Gdp Bound 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca (pdb code 8dq9). 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 Gdp Bound 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca, PDB code: 8dq9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Gdp Bound 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca


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 Gdp Bound 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:96.5 occ:1.00 CB A:CYS92 2.3 122.3 1.0 ND1 A:HIS58 2.3 96.8 1.0 SG A:CYS92 2.3 124.9 1.0 SG A:CYS83 2.5 123.3 1.0 CE1 A:HIS58 3.2 99.2 1.0 CB A:CYS83 3.2 103.9 1.0 CA A:CYS92 3.3 132.7 1.0 CG A:HIS58 3.4 94.6 1.0 N A:CYS92 3.4 135.2 1.0 OE2 A:GLU60 3.7 95.5 1.0 CB A:HIS58 3.7 93.4 1.0 N A:CYS83 3.7 100.7 1.0 OE1 A:GLU60 3.8 92.8 1.0 CD A:GLU60 4.0 93.6 1.0 CA A:CYS83 4.1 103.8 1.0 NE2 A:HIS58 4.3 97.0 1.0 O A:CYS83 4.4 122.6 1.0 CD2 A:HIS58 4.4 96.3 1.0 C A:CYS92 4.5 131.4 1.0 C A:PRO91 4.6 124.8 1.0 C A:CYS83 4.7 115.2 1.0 C A:PRO82 4.9 103.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Gdp Bound 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca


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 Gdp Bound 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn402 b:80.7 occ:1.00 SG B:CYS83 2.1 110.6 1.0 ND1 B:HIS58 2.3 70.5 1.0 SG B:CYS92 2.3 83.2 1.0 CB B:CYS83 2.7 65.0 1.0 CE1 B:HIS58 3.1 76.3 1.0 CB B:CYS92 3.2 66.2 1.0 CG B:HIS58 3.3 70.4 1.0 N B:CYS83 3.3 70.6 1.0 OE2 B:GLU60 3.5 66.3 1.0 CA B:CYS83 3.6 68.3 1.0 CB B:HIS58 3.7 71.8 1.0 OE1 B:GLU60 3.7 67.2 1.0 CD B:GLU60 3.9 68.3 1.0 NE2 B:HIS58 4.3 74.7 1.0 N B:CYS92 4.3 76.4 1.0 CA B:CYS92 4.4 69.3 1.0 CD2 B:HIS58 4.4 73.1 1.0 C B:PRO82 4.5 71.2 1.0 C B:CYS83 4.8 74.0 1.0 CA B:PRO82 4.9 69.1 1.0 O B:CYS83 5.0 71.4 1.0

L.Liu, S.Seibold, K.P.Battaile, S.Lovell. Crystal Structure of Gdp Bound 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca To Be Published.