Chlorine in PDB 5uu6: The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633

The structure of The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633, PDB code: 5uu6 was solved by K.Tan, M.Zhou, W.F.Anderson, A.Joachimiak, Center For Structural Genomicsof Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.69 / 1.95
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.004, 71.609, 110.450, 90.00, 93.15, 90.00
R / Rfree (%)	16.3 / 21

The binding sites of Chlorine atom in the The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633 (pdb code 5uu6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633, PDB code: 5uu6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:34.8 occ:1.00 O A:HOH407 3.0 19.4 1.0 NH1 A:ARG225 3.3 25.9 1.0 CA A:GLY130 3.5 12.8 1.0 C A:GLY130 3.6 11.1 1.0 NH2 A:ARG225 3.8 24.0 1.0 O A:GLY130 3.9 15.7 1.0 N5 A:FMN301 3.9 22.0 1.0 NH2 A:ARG133 4.0 22.7 1.0 CZ A:ARG225 4.0 24.8 1.0 C6 A:FMN301 4.0 19.0 1.0 N A:GLY131 4.2 11.7 1.0 N A:GLY130 4.2 15.0 1.0 O A:HOH477 4.2 31.4 1.0 C5A A:FMN301 4.2 14.8 1.0 CB B:SER40 4.3 25.5 1.0 OG B:SER41 4.6 28.2 1.0 CZ A:ARG133 4.6 23.0 1.0 OG B:SER40 4.6 28.5 1.0 O4 A:FMN301 4.7 17.6 1.0 C4A A:FMN301 4.8 24.6 1.0 NH1 A:ARG133 4.9 17.0 1.0 CA A:GLY131 4.9 13.8 1.0 CA B:SER40 4.9 21.9 1.0

Chlorine binding site 2 out of 4 in the The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:31.9 occ:1.00 OE2 B:GLU120 2.8 33.3 1.0 O B:ARG12 2.8 16.1 1.0 N B:GLY126 2.9 16.7 1.0 O B:GLY126 3.3 10.8 1.0 O B:HOH409 3.3 37.2 1.0 CA B:GLY125 3.4 16.8 1.0 CG1 B:ILE14 3.6 13.8 1.0 C B:GLY125 3.6 18.9 1.0 CD B:GLU120 3.6 30.1 1.0 CG B:GLU120 3.7 21.5 1.0 CA B:GLY126 3.9 12.5 1.0 C B:GLY126 4.0 12.0 1.0 C B:ARG12 4.0 15.2 1.0 N B:ILE14 4.0 12.7 1.0 CB B:ILE14 4.2 11.6 1.0 ND1 B:HIS11 4.3 20.1 1.0 CE1 B:HIS11 4.4 22.6 1.0 CD1 B:LEU116 4.4 11.2 1.0 CA B:SER13 4.6 16.5 1.0 C B:SER13 4.6 13.2 1.0 O B:LEU124 4.6 21.9 1.0 N B:GLY125 4.7 21.3 1.0 N B:SER13 4.7 15.0 1.0 N B:ARG12 4.8 15.5 1.0 CA B:ILE14 4.8 11.1 1.0 CD1 B:ILE14 4.8 14.0 1.0 OE1 B:GLU120 4.8 30.2 1.0 O B:GLY125 4.8 16.3 1.0 CA B:ARG12 5.0 13.3 1.0

Chlorine binding site 3 out of 4 in the The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:39.6 occ:1.00 O D:HOH448 3.1 26.0 1.0 NH1 C:ARG225 3.3 25.8 1.0 CA C:GLY130 3.5 15.0 1.0 C C:GLY130 3.6 14.7 1.0 NH2 C:ARG225 3.8 19.9 1.0 O C:HOH471 3.9 29.4 1.0 O C:GLY130 3.9 13.2 1.0 N5 C:FMN301 4.0 21.8 1.0 CZ C:ARG225 4.0 24.6 1.0 N C:GLY131 4.1 13.4 1.0 C6 C:FMN301 4.1 14.0 1.0 NH2 C:ARG133 4.2 28.1 1.0 N C:GLY130 4.2 12.6 1.0 C5A C:FMN301 4.3 15.8 1.0 OG D:SER41 4.5 33.1 1.0 CB D:SER40 4.5 27.1 1.0 O4 C:FMN301 4.7 15.5 1.0 CZ C:ARG133 4.8 23.1 1.0 OG D:SER40 4.8 34.0 1.0 C4A C:FMN301 4.8 21.7 1.0 NH1 C:ARG133 4.8 15.0 1.0 CA C:GLY131 5.0 15.3 1.0

Chlorine binding site 4 out of 4 in the The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl303 b:23.2 occ:1.00 N D:SER19 3.2 20.6 1.0 NE2 D:GLN20 3.5 24.4 1.0 CB D:SER19 3.6 35.8 1.0 CB D:THR18 3.7 23.3 1.0 CA D:SER19 3.9 27.4 1.0 OG D:SER19 4.0 40.1 1.0 CA D:THR18 4.1 22.7 1.0 C D:THR18 4.1 19.9 1.0 CG D:GLN20 4.4 21.7 1.0 N D:GLN20 4.4 20.2 1.0 OG1 D:THR18 4.4 18.2 1.0 CD D:GLN20 4.4 23.7 1.0 C D:SER19 4.6 27.1 1.0 CG2 D:THR18 4.8 24.9 1.0

K.Tan, M.Zhou, W.F.Anderson, A.Joachimiak. The Crystal Structure of Nitroreductase A From Vibrio Parahaemolyticus Rimd 2210633 To Be Published.