Chlorine in PDB 3iac: 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium.

All present enzymatic activity of 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium.:
5.3.1.12;

The structure of 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium., PDB code: 3iac was solved by G.Minasov, Z.Wawrzak, T.Skarina, O.Onopriyenko, S.N.Peterson, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.76 / 2.22
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	225.535, 225.535, 82.745, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 18.1

The binding sites of Chlorine atom in the 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium. (pdb code 3iac). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium., PDB code: 3iac:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl471 b:38.1 occ:1.00 N A:ASP58 3.0 26.2 0.4 N A:ASP58 3.1 34.0 0.6 CA A:GLY57 3.2 24.3 0.4 O A:HOH1121 3.3 13.6 1.0 N A:LYS61 3.3 16.9 1.0 NZ A:LYS61 3.4 10.7 1.0 N A:TYR60 3.4 20.3 1.0 CG A:LYS61 3.5 20.1 1.0 O A:GLY57 3.6 36.1 0.6 C A:GLY57 3.6 25.2 0.4 C A:GLY57 3.6 35.2 0.6 N A:HIS59 3.7 28.4 0.6 CB A:TYR60 3.7 19.6 1.0 N A:HIS59 3.8 24.7 0.4 O A:HOH615 3.8 23.2 1.0 O A:GLU56 3.8 18.4 0.4 CA A:ASP58 3.9 32.6 0.6 N A:GLY57 3.9 21.8 0.4 CA A:TYR60 4.0 19.2 1.0 O A:HOH734 4.0 37.3 1.0 CB A:LYS61 4.0 17.8 1.0 C A:ASP58 4.0 31.4 0.6 CA A:ASP58 4.1 26.2 0.4 C A:TYR60 4.1 17.9 1.0 C A:ASP58 4.1 25.9 0.4 CD1 A:TYR60 4.2 21.5 1.0 CB A:ASP58 4.2 31.9 0.6 C A:GLU56 4.2 19.2 0.4 CD A:LYS61 4.2 16.8 1.0 CA A:LYS61 4.3 17.1 1.0 CE A:LYS61 4.3 18.4 1.0 C A:HIS59 4.4 21.5 0.4 C A:HIS59 4.4 22.7 0.6 CG A:TYR60 4.5 19.9 1.0 CA A:HIS59 4.5 23.5 0.4 CA A:HIS59 4.6 26.3 0.6 O A:LEU55 4.6 17.3 0.4 O A:GLY57 4.7 26.2 0.4 CB A:ASP58 4.7 25.6 0.4 CD2 A:LEU101 4.8 13.4 1.0 O A:TRP54 4.8 18.4 0.4 O A:TRP54 4.8 21.2 0.6 CA A:GLY57 4.9 34.8 0.6 O A:ASP58 5.0 32.6 0.6

Chlorine binding site 2 out of 3 in the 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl471 b:39.3 occ:1.00 N B:ASP58 3.1 30.2 1.0 O B:HOH473 3.3 15.2 1.0 NZ B:LYS61 3.3 18.3 1.0 N B:LYS61 3.4 18.4 1.0 N B:TYR60 3.4 19.9 1.0 CG B:LYS61 3.5 20.1 1.0 CA B:GLY57 3.6 31.6 1.0 CB B:TYR60 3.7 20.1 1.0 N B:HIS59 3.7 25.4 1.0 O B:HOH647 3.7 20.8 1.0 C B:GLY57 3.8 30.7 1.0 O B:GLU56 3.9 29.2 1.0 CA B:TYR60 3.9 19.4 1.0 CA B:ASP58 4.1 29.1 1.0 C B:ASP58 4.1 27.9 1.0 CD1 B:TYR60 4.1 22.1 1.0 CB B:LYS61 4.1 18.2 1.0 C B:TYR60 4.1 18.8 1.0 O B:HOH618 4.2 26.4 1.0 CD B:LYS61 4.3 20.8 1.0 CA B:LYS61 4.3 18.5 1.0 N B:GLY57 4.3 31.7 1.0 CE B:LYS61 4.3 20.0 1.0 C B:HIS59 4.3 21.8 1.0 CG B:TYR60 4.4 20.8 1.0 C B:GLU56 4.4 31.5 1.0 O B:LEU55 4.4 31.4 1.0 CA B:HIS59 4.5 24.3 1.0 CB B:ASP58 4.6 28.3 1.0 CD2 B:LEU101 4.7 17.6 1.0 O B:ASP58 4.9 28.0 1.0 O B:TRP54 5.0 24.3 1.0 O B:GLY57 5.0 29.6 1.0

Chlorine binding site 3 out of 3 in the 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl471 b:44.0 occ:1.00 N C:ASP58 3.1 33.0 1.0 O C:HOH1123 3.2 15.7 1.0 N C:TYR60 3.3 19.6 1.0 N C:LYS61 3.4 18.0 1.0 NZ C:LYS61 3.4 15.8 1.0 CG C:LYS61 3.6 18.6 1.0 N C:HIS59 3.6 27.9 1.0 CB C:TYR60 3.7 18.8 1.0 CA C:GLY57 3.7 34.0 1.0 O C:HOH541 3.8 31.7 1.0 O C:GLU56 3.9 29.6 1.0 C C:GLY57 3.9 33.5 1.0 CA C:TYR60 3.9 19.5 1.0 CA C:ASP58 4.0 31.3 1.0 C C:ASP58 4.1 30.5 1.0 CB C:LYS61 4.1 19.0 1.0 C C:TYR60 4.1 17.9 1.0 CD1 C:TYR60 4.1 25.8 1.0 C C:HIS59 4.2 22.6 1.0 CD C:LYS61 4.3 17.8 1.0 CA C:LYS61 4.3 17.8 1.0 CA C:HIS59 4.4 25.5 1.0 N C:GLY57 4.4 33.9 1.0 C C:GLU56 4.4 33.1 1.0 O C:LEU55 4.4 34.8 1.0 CE C:LYS61 4.4 17.3 1.0 CG C:TYR60 4.4 20.7 1.0 O C:HOH548 4.5 25.5 1.0 CB C:ASP58 4.6 31.8 1.0 O C:TRP54 4.9 29.7 1.0 CD2 C:LEU101 5.0 13.4 1.0 O C:ASP58 5.0 31.0 1.0

G.Minasov, Z.Wawrzak, T.Skarina, O.Onopriyenko, S.N.Peterson, A.Savchenko, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.2 Angstrom Crystal Structure of Glucuronate Isomerase From Salmonella Typhimurium. To Be Published.