Chlorine 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:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Gdp Bound 3-Dehydroquinate Dehydratase I From Klebsiella Oxytoca, PDB code: 8dq9:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl401 b:66.2 occ:1.00 NH2 A:ARG185 3.0 84.5 1.0 N A:LEU212 3.9 72.5 1.0 N A:ALA211 4.1 71.3 1.0 CZ A:ARG185 4.2 83.1 1.0 NH1 A:ARG192 4.4 69.0 1.0 CA A:LEU212 4.5 69.7 1.0 CD2 A:LEU212 4.6 66.3 1.0 NH2 A:ARG192 4.6 69.8 1.0 CB A:PRO210 4.6 69.0 1.0 CB A:ALA211 4.7 74.0 1.0 NH1 A:ARG185 4.7 78.9 1.0 CA A:ALA211 4.7 71.0 1.0 C A:ALA211 4.8 71.8 1.0 CA A:PRO210 4.9 71.2 1.0 CZ A:ARG192 5.0 69.6 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl401 b:70.2 occ:1.00 N B:LEU212 3.5 70.8 1.0 NH2 B:ARG192 3.5 67.9 1.0 CD2 B:LEU212 4.0 67.0 1.0 N B:ALA211 4.0 79.8 1.0 CA B:LEU212 4.1 68.5 1.0 NH1 B:ARG192 4.4 65.4 1.0 CZ B:ARG192 4.4 64.8 1.0 CB B:ALA211 4.4 78.0 1.0 C B:ALA211 4.5 71.9 1.0 CA B:ALA211 4.5 78.2 1.0 CB B:PRO210 4.6 79.0 1.0 N B:THR213 5.0 65.0 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.