Chlorine in PDB 3eo7: Crystal Structure of A Putative Nitroreductase (AVA_2154) From Anabaena Variabilis Atcc 29413 at 1.80 A Resolution

The structure of Crystal Structure of A Putative Nitroreductase (AVA_2154) From Anabaena Variabilis Atcc 29413 at 1.80 A Resolution, PDB code: 3eo7 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)	30.06 / 1.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.880, 93.880, 144.950, 90.00, 90.00, 120.00
R / Rfree (%)	13.7 / 16.3

The structure of Crystal Structure of A Putative Nitroreductase (AVA_2154) From Anabaena Variabilis Atcc 29413 at 1.80 A Resolution also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of A Putative Nitroreductase (AVA_2154) From Anabaena Variabilis Atcc 29413 at 1.80 A Resolution (pdb code 3eo7). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of A Putative Nitroreductase (AVA_2154) From Anabaena Variabilis Atcc 29413 at 1.80 A Resolution, PDB code: 3eo7:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Putative Nitroreductase (AVA_2154) From Anabaena Variabilis Atcc 29413 at 1.80 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 Putative Nitroreductase (AVA_2154) From Anabaena Variabilis Atcc 29413 at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl702 b:19.6 occ:1.00 N A:PHE306 3.3 13.1 1.0 C A:PHE304 3.6 17.8 1.0 N A:PRO305 3.7 18.1 1.0 CD A:PRO305 3.7 18.4 1.0 CA A:PHE304 3.7 17.0 1.0 CB A:PHE306 3.8 17.3 1.0 SG A:CYS307 3.8 15.9 1.0 CA A:PHE306 3.9 14.5 1.0 CD2 A:PHE306 4.0 23.0 1.0 N A:CYS307 4.1 14.1 1.0 O A:PHE304 4.1 17.1 1.0 C A:PHE306 4.1 12.3 1.0 CG A:PHE306 4.3 21.5 1.0 CG A:PRO305 4.3 19.9 1.0 CB A:PHE304 4.4 16.9 1.0 C A:PRO305 4.4 19.4 1.0 CA A:PRO305 4.5 21.6 1.0 CD1 A:PHE304 4.6 22.5 1.0 CB A:CYS307 4.7 16.4 1.0 O A:PHE306 4.8 15.0 1.0 N A:PHE304 4.9 17.8 1.0 CA A:CYS307 4.9 13.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Putative Nitroreductase (AVA_2154) From Anabaena Variabilis Atcc 29413 at 1.80 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 Putative Nitroreductase (AVA_2154) From Anabaena Variabilis Atcc 29413 at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:36.4 occ:0.50 CL A:CL703 0.0 36.4 0.5 CL A:CL703 2.1 58.9 0.5 O A:HOH1128 2.8 56.9 1.0 N A:GLU139 2.8 18.9 1.0 CH3 A:ACT711 3.5 81.6 1.0 CA A:TRP138 3.7 20.2 1.0 O A:ACT711 3.7 82.2 1.0 O A:GLU139 3.7 30.0 1.0 CE3 A:TRP138 3.7 35.8 1.0 C A:TRP138 3.7 21.4 1.0 CA A:GLU139 3.8 24.6 1.0 C A:ACT711 3.9 82.6 1.0 CB A:GLU139 4.0 27.5 1.0 CD2 A:TRP138 4.1 29.4 1.0 C A:GLU139 4.1 25.0 1.0 CZ3 A:TRP138 4.2 39.1 1.0 O A:TYR137 4.5 20.1 1.0 CG A:TRP138 4.5 28.2 1.0 N A:TRP138 4.5 19.1 1.0 CB A:TRP138 4.7 21.6 1.0 CE2 A:TRP138 4.8 32.1 1.0 C A:TYR137 4.8 18.7 1.0 CH2 A:TRP138 4.9 36.1 1.0 O A:TRP138 4.9 16.8 1.0 OXT A:ACT711 5.0 82.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Putative Nitroreductase (AVA_2154) From Anabaena Variabilis Atcc 29413 at 1.80 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of A Putative Nitroreductase (AVA_2154) From Anabaena Variabilis Atcc 29413 at 1.80 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:58.9 occ:0.50 CL A:CL703 0.0 58.9 0.5 CL A:CL703 2.1 36.4 0.5 O A:GLU139 3.1 30.0 1.0 CZ3 A:TRP138 3.6 39.1 1.0 CH2 A:TRP138 3.8 36.1 1.0 CE3 A:TRP138 3.8 35.8 1.0 N A:GLU139 4.0 18.9 1.0 C A:GLU139 4.0 25.0 1.0 CZ2 A:TRP138 4.0 38.7 1.0 CD2 A:TRP138 4.0 29.4 1.0 CE2 A:TRP138 4.1 32.1 1.0 CA A:GLU139 4.5 24.6 1.0 O A:HOH1128 4.5 56.9 1.0 CB A:GLU139 4.8 27.5 1.0 CG A:TRP138 4.9 28.2 1.0 CH3 A:ACT711 4.9 81.6 1.0 NE1 A:TRP138 4.9 35.6 1.0 C A:TRP138 4.9 21.4 1.0

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