Chlorine in PDB 8qyg: Crystal Structure of Nitroreductase From Bacillus Tequilensis

The structure of Crystal Structure of Nitroreductase From Bacillus Tequilensis, PDB code: 8qyg was solved by H.J.Rozeboom, S.Russo, M.W.Fraaije, G.J.Poelarends, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.50 / 1.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.472, 84.279, 100.606, 90, 90, 90
R / Rfree (%)	12.3 / 14.9

The structure of Crystal Structure of Nitroreductase From Bacillus Tequilensis also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Nitroreductase From Bacillus Tequilensis (pdb code 8qyg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Nitroreductase From Bacillus Tequilensis, PDB code: 8qyg:

Chlorine binding site 1 out of 1 in the Crystal Structure of Nitroreductase From Bacillus Tequilensis


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 Nitroreductase From Bacillus Tequilensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl307 b:11.6 occ:1.00 O A:HOH586 3.1 11.7 1.0 O A:HOH663 3.2 29.7 1.0 N A:ASP29 3.3 7.9 1.0 CA A:SER28 3.8 7.8 1.0 CB A:SER28 3.8 7.6 1.0 CG A:ASP29 3.8 13.2 1.0 O A:HOH697 3.9 37.6 1.0 CB A:ASP29 4.0 9.6 1.0 C A:SER28 4.0 7.8 1.0 OD2 A:ASP29 4.1 16.2 1.0 OD1 A:ASP29 4.1 14.0 1.0 O A:HOH523 4.2 21.5 1.0 CA A:ASP29 4.2 8.1 1.0 O A:HOH454 4.6 21.8 1.0 MG A:MG308 4.7 23.8 1.0 O A:HOH588 4.9 19.7 1.0 OG A:SER28 5.0 7.9 1.0

H.J.Rozeboom, S.Russo, M.W.Fraaije, G.J.Poelarends. Crystal Structure of Nitroreductase From Bacillus Tequilensis To Be Published.