Chlorine in PDB 3e8x: Putative Nad-Dependent Epimerase/Dehydratase From Bacillus Halodurans.

The structure of Putative Nad-Dependent Epimerase/Dehydratase From Bacillus Halodurans., PDB code: 3e8x was solved by J.Osipiuk, T.Skarina, O.Onopriyenko, A.Savchenko, A.M.Edwards, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.10
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	113.687, 113.687, 63.645, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 19.3

The binding sites of Chlorine atom in the Putative Nad-Dependent Epimerase/Dehydratase From Bacillus Halodurans. (pdb code 3e8x). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Putative Nad-Dependent Epimerase/Dehydratase From Bacillus Halodurans., PDB code: 3e8x:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Putative Nad-Dependent Epimerase/Dehydratase From Bacillus Halodurans.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Putative Nad-Dependent Epimerase/Dehydratase From Bacillus Halodurans. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:46.6 occ:0.60 CL A:CL501 0.0 46.6 0.6 CL A:CL501 1.1 51.8 0.4 O A:HOH597 2.9 65.6 1.0 N A:ASP115 3.3 47.8 1.0 O A:HOH539 3.3 52.0 1.0 O A:HOH569 3.3 52.3 1.0 CB A:ASP115 3.7 46.3 1.0 CE1 A:HIS166 3.7 43.1 1.0 O A:HOH530 3.9 42.5 1.0 CA A:ASP115 3.9 47.3 1.0 CB A:VAL114 3.9 47.8 1.0 C A:GLY112 4.0 48.7 1.0 N A:VAL114 4.0 48.7 1.0 CA A:GLY112 4.0 47.9 1.0 C A:VAL114 4.1 47.8 1.0 O A:ASP115 4.2 46.7 1.0 O A:GLY112 4.2 49.6 1.0 CA A:VAL114 4.2 47.6 1.0 C A:ASP115 4.2 46.6 1.0 N A:GLY112 4.3 47.9 1.0 NE2 A:HIS166 4.4 43.9 1.0 N A:THR113 4.4 49.2 1.0 CG1 A:VAL114 4.6 44.7 1.0 O A:HOH576 4.7 64.0 1.0 ND1 A:HIS166 4.7 41.6 1.0 C A:THR113 4.9 47.5 1.0 O A:HOH507 4.9 42.5 1.0

Chlorine binding site 2 out of 2 in the Putative Nad-Dependent Epimerase/Dehydratase From Bacillus Halodurans.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Putative Nad-Dependent Epimerase/Dehydratase From Bacillus Halodurans. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:51.8 occ:0.40 CL A:CL501 0.0 51.8 0.4 CL A:CL501 1.1 46.6 0.6 O A:HOH530 2.9 42.5 1.0 O A:HOH569 2.9 52.3 1.0 C A:GLY112 3.3 48.7 1.0 CA A:GLY112 3.3 47.9 1.0 N A:VAL114 3.3 48.7 1.0 N A:ASP115 3.4 47.8 1.0 N A:GLY112 3.5 47.9 1.0 N A:THR113 3.5 49.2 1.0 CB A:VAL114 3.6 47.8 1.0 O A:HOH539 3.7 52.0 1.0 CE1 A:HIS166 3.7 43.1 1.0 O A:HOH597 3.7 65.6 1.0 O A:GLY112 3.8 49.6 1.0 CA A:VAL114 3.8 47.6 1.0 C A:VAL114 4.1 47.8 1.0 C A:THR113 4.3 47.5 1.0 CA A:ASP115 4.4 47.3 1.0 CB A:ASP115 4.4 46.3 1.0 ND1 A:HIS166 4.5 41.6 1.0 CG2 A:VAL114 4.5 46.9 1.0 CA A:THR113 4.5 48.6 1.0 NE2 A:HIS166 4.6 43.9 1.0 CG1 A:VAL114 4.6 44.7 1.0 O A:HOH507 4.6 42.5 1.0 C A:ASP115 4.7 46.6 1.0 O A:ASP115 4.7 46.7 1.0 C A:VAL111 4.7 48.2 1.0 OE2 A:GLU198 4.9 48.0 1.0

J.Osipiuk, T.Skarina, O.Onopriyenko, A.Savchenko, A.M.Edwards, A.Joachimiak. X-Ray Crystal Structure of Putative Nad-Dependent Epimerase/Dehydratase From Bacillus Halodurans. To Be Published.