Chlorine in PDB 3koq: Crystal Structure of A Nitroreductase Family Protein (CD3355) From Clostridium Difficile 630 at 1.58 A Resolution

The structure of Crystal Structure of A Nitroreductase Family Protein (CD3355) From Clostridium Difficile 630 at 1.58 A Resolution, PDB code: 3koq was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.37 / 1.58
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.369, 87.924, 87.501, 90.00, 102.33, 90.00
R / Rfree (%)	17.8 / 21.8

The binding sites of Chlorine atom in the Crystal Structure of A Nitroreductase Family Protein (CD3355) From Clostridium Difficile 630 at 1.58 A Resolution (pdb code 3koq). 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 A Nitroreductase Family Protein (CD3355) From Clostridium Difficile 630 at 1.58 A Resolution, PDB code: 3koq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of A Nitroreductase Family Protein (CD3355) From Clostridium Difficile 630 at 1.58 A Resolution


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 A Nitroreductase Family Protein (CD3355) From Clostridium Difficile 630 at 1.58 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl173 b:11.5 occ:1.00 O2' A:FMN300 2.9 8.2 1.0 N B:GLY40 3.2 9.0 1.0 C10 A:FMN300 3.2 8.6 1.0 N10 A:FMN300 3.3 6.4 1.0 C4A A:FMN300 3.5 4.4 1.0 CA B:GLY40 3.5 11.8 1.0 N1 A:FMN300 3.6 9.0 1.0 C2' A:FMN300 3.7 6.8 1.0 N5 A:FMN300 3.9 7.7 1.0 C9A A:FMN300 4.0 3.6 1.0 C1' A:FMN300 4.0 8.7 1.0 C4 A:FMN300 4.1 12.4 1.0 C5A A:FMN300 4.1 6.2 1.0 C2 A:FMN300 4.2 7.7 1.0 C B:GLY39 4.3 8.0 1.0 N3 A:FMN300 4.4 7.6 1.0 O A:HOH518 4.4 25.1 1.0 CA B:GLY39 4.7 10.6 1.0 C B:GLY40 4.8 9.5 1.0 NH2 A:ARG14 4.8 8.9 1.0 C9 A:FMN300 4.9 7.8 1.0 O4 A:FMN300 4.9 8.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of A Nitroreductase Family Protein (CD3355) From Clostridium Difficile 630 at 1.58 A Resolution


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 A Nitroreductase Family Protein (CD3355) From Clostridium Difficile 630 at 1.58 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl174 b:12.8 occ:1.00 O2' D:FMN300 3.0 9.9 1.0 O B:HOH779 3.0 20.8 1.0 N C:GLY40 3.2 9.5 1.0 C10 D:FMN300 3.2 11.1 1.0 CB B:ILE149 3.4 8.9 1.0 N10 D:FMN300 3.4 8.0 1.0 N B:ILE149 3.4 10.2 1.0 CA C:GLY40 3.5 12.0 1.0 C4A D:FMN300 3.5 10.0 1.0 N1 D:FMN300 3.7 10.3 1.0 CD1 B:ILE149 3.7 10.3 1.0 CG1 B:ILE149 3.7 8.2 1.0 C2' D:FMN300 3.7 9.0 1.0 CB B:LYS148 3.9 10.0 1.0 N5 D:FMN300 3.9 9.5 1.0 C9A D:FMN300 4.0 8.5 1.0 CA B:ILE149 4.0 8.3 1.0 C1' D:FMN300 4.0 7.8 1.0 C5A D:FMN300 4.1 6.3 1.0 CD B:LYS148 4.2 13.2 1.0 C4 D:FMN300 4.2 10.6 1.0 CG B:LYS148 4.3 12.4 1.0 C2 D:FMN300 4.3 7.8 1.0 C C:GLY39 4.3 10.8 1.0 C B:LYS148 4.4 11.5 1.0 N3 D:FMN300 4.5 8.0 1.0 O B:ILE149 4.5 12.2 1.0 O D:HOH177 4.5 24.3 1.0 CG2 B:ILE149 4.6 9.5 1.0 CA B:LYS148 4.6 10.2 1.0 CA C:GLY39 4.7 11.9 1.0 NH2 D:ARG14 4.7 11.1 1.0 C C:GLY40 4.7 10.4 1.0 C B:ILE149 4.8 11.3 1.0 C9 D:FMN300 4.9 8.8 1.0 O4 D:FMN300 5.0 10.6 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.