Chlorine in PDB 2egg: Crystal Structure of Shikimate 5-Dehydrogenase (Aroe) From Geobacillus Kaustophilus

All present enzymatic activity of Crystal Structure of Shikimate 5-Dehydrogenase (Aroe) From Geobacillus Kaustophilus:
1.1.1.25;

The structure of Crystal Structure of Shikimate 5-Dehydrogenase (Aroe) From Geobacillus Kaustophilus, PDB code: 2egg was solved by B.Bagautdinov, N.Kunishima, Riken Structural Genomics/Proteomicsinitiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.54 / 2.25
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	171.394, 171.394, 171.394, 90.00, 90.00, 90.00
R / Rfree (%)	21.8 / 25.5

The binding sites of Chlorine atom in the Crystal Structure of Shikimate 5-Dehydrogenase (Aroe) From Geobacillus Kaustophilus (pdb code 2egg). 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 Shikimate 5-Dehydrogenase (Aroe) From Geobacillus Kaustophilus, PDB code: 2egg:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Shikimate 5-Dehydrogenase (Aroe) From Geobacillus Kaustophilus


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 Shikimate 5-Dehydrogenase (Aroe) From Geobacillus Kaustophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:65.3 occ:1.00 OE1 A:GLN269 3.6 42.6 1.0 SD A:MET265 3.7 34.5 1.0 CG A:MET265 3.9 35.1 1.0 O A:HOH1111 3.9 31.5 1.0 CE2 A:TYR241 3.9 38.6 1.0 O A:ILE239 4.2 35.3 1.0 CB A:MET265 4.3 28.6 1.0 CE A:MET265 4.3 33.8 1.0 N A:LEU266 4.3 24.9 1.0 CD2 A:TYR241 4.4 36.3 1.0 CD A:GLN269 4.4 38.4 1.0 CA A:LEU266 4.5 31.3 1.0 O A:GLY262 4.6 38.1 1.0 CB A:LEU266 4.7 32.9 1.0 O A:HOH1048 4.7 46.0 1.0 NE2 A:GLN269 4.8 39.5 1.0 O A:HOH1159 4.8 57.4 1.0 CD1 A:LEU266 4.8 31.7 1.0 CB A:ILE239 4.8 29.5 1.0 C A:MET265 4.8 28.6 1.0 O A:HOH1044 4.9 34.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Shikimate 5-Dehydrogenase (Aroe) From Geobacillus Kaustophilus


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 Shikimate 5-Dehydrogenase (Aroe) From Geobacillus Kaustophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1002 b:35.9 occ:1.00 O A:HOH1075 3.0 39.3 1.0 O A:HOH1060 3.3 31.6 1.0 CD A:ARG180 3.4 61.3 1.0 NE A:ARG180 4.1 72.4 1.0 CG A:LYS177 4.1 39.7 1.0 NH1 A:ARG180 4.5 77.6 1.0 CB A:ARG180 4.5 36.9 1.0 CZ A:ARG180 4.6 77.2 1.0 CG A:ARG180 4.6 48.8 1.0 CE A:LYS177 4.7 34.0 1.0 O A:HOH1176 4.7 39.0 1.0 CA A:LYS177 4.7 39.9 1.0 CD A:LYS177 4.8 36.8 1.0 CB A:LYS177 4.8 35.0 1.0

B.Bagautdinov, N.Kunishima. Crystal Structure of Shikimate 5-Dehydrogenase (Aroe) From Geobacillus Kaustophilus To Be Published.