Chlorine in PDB 3o0h: Crystal Structure of Glutathione Reductase From Bartonella Henselae

All present enzymatic activity of Crystal Structure of Glutathione Reductase From Bartonella Henselae:
1.8.1.7;

The structure of Crystal Structure of Glutathione Reductase From Bartonella Henselae, PDB code: 3o0h was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.76 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	84.470, 64.650, 90.190, 90.00, 107.24, 90.00
R / Rfree (%)	16.4 / 20.9

The binding sites of Chlorine atom in the Crystal Structure of Glutathione Reductase From Bartonella Henselae (pdb code 3o0h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Glutathione Reductase From Bartonella Henselae, PDB code: 3o0h:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Glutathione Reductase From Bartonella Henselae


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 Glutathione Reductase From Bartonella Henselae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:24.6 occ:1.00 O A:HOH615 3.0 14.1 1.0 NE A:ARG19 3.1 21.1 1.0 NH1 A:ARG22 3.4 33.6 1.0 CG1 A:VAL18 3.7 17.8 1.0 CA A:ARG19 3.8 17.3 1.0 CD A:ARG22 3.9 26.9 1.0 NH2 A:ARG19 3.9 23.1 1.0 CD A:ARG19 3.9 21.5 1.0 CZ A:ARG19 4.0 19.9 1.0 CB A:ARG19 4.0 17.2 1.0 N A:ARG19 4.0 16.4 1.0 CE1 A:TYR99 4.1 24.3 1.0 CZ A:ARG22 4.2 34.9 1.0 C A:VAL18 4.3 15.9 1.0 NE A:ARG22 4.4 29.7 1.0 CD1 A:TYR99 4.5 22.9 1.0 O A:VAL18 4.5 17.1 1.0 CG A:ARG19 4.6 19.1 1.0 O A:HOH633 4.7 26.4 1.0 CB A:VAL18 4.8 15.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Glutathione Reductase From Bartonella Henselae


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 Glutathione Reductase From Bartonella Henselae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:28.1 occ:1.00 O A:HOH522 3.2 19.0 1.0 N A:TYR211 3.2 20.4 1.0 N A:GLU358 3.2 25.4 1.0 OD2 A:ASP210 3.5 23.8 1.0 CB A:GLU358 3.5 29.5 1.0 CB A:SER356 3.6 21.2 1.0 N A:GLU357 3.7 20.9 1.0 CG A:ASP210 3.8 20.1 1.0 CB A:TYR211 3.8 24.1 0.7 CA A:ASP210 3.8 18.7 1.0 CB A:TYR211 3.9 22.3 0.3 C A:ASP210 4.0 18.8 1.0 CA A:GLU358 4.0 27.8 1.0 CB A:GLU357 4.1 21.7 1.0 OG A:SER356 4.1 22.5 1.0 CA A:TYR211 4.1 21.3 0.7 CA A:TYR211 4.1 20.6 0.3 OD1 A:ASP210 4.1 19.2 1.0 C A:GLU357 4.2 23.5 1.0 CA A:GLU357 4.2 21.4 1.0 O A:HOH616 4.3 14.8 1.0 CB A:ASP210 4.3 19.1 1.0 C A:SER356 4.4 20.4 1.0 CA A:SER356 4.5 19.9 1.0 O A:HOH624 4.7 11.2 1.0 CG A:GLU358 4.9 34.4 1.0 CG A:GLU357 5.0 23.1 1.0 NZ A:LYS391 5.0 16.2 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Glutathione Reductase From Bartonella Henselae


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 Glutathione Reductase From Bartonella Henselae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:25.2 occ:1.00 O B:HOH577 2.9 17.0 1.0 O B:HOH640 3.0 14.6 1.0 NE B:ARG19 3.0 19.4 1.0 NH1 B:ARG22 3.4 33.4 1.0 CA B:ARG19 3.8 15.0 1.0 CD B:ARG19 3.8 20.6 1.0 NH2 B:ARG19 3.9 18.2 1.0 CZ B:ARG19 3.9 17.9 1.0 CE2 B:TYR99 3.9 20.7 1.0 CB B:ARG19 4.0 14.5 1.0 NE B:ARG22 4.0 27.8 1.0 CG1 B:VAL18 4.0 18.0 1.0 N B:ARG19 4.1 15.2 1.0 CZ B:ARG22 4.2 31.1 1.0 O B:HOH604 4.2 17.8 1.0 CD2 B:TYR99 4.4 21.3 1.0 C B:VAL18 4.5 16.5 1.0 CG B:ARG19 4.5 15.1 1.0 O B:VAL18 4.6 17.2 1.0 O B:HOH697 4.6 25.6 1.0 O B:HOH777 4.9 14.9 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Glutathione Reductase From Bartonella Henselae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Glutathione Reductase From Bartonella Henselae within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:17.4 occ:1.00 O B:HOH803 2.9 19.5 1.0 N B:TYR211 3.1 15.3 1.0 O B:HOH772 3.2 17.8 1.0 N B:GLU358 3.3 21.9 1.0 CB B:GLU358 3.5 26.6 1.0 OD2 B:ASP210 3.6 16.9 1.0 CB B:TYR211 3.8 19.1 1.0 CB B:SER356 3.8 15.4 1.0 N B:GLU357 3.9 17.8 1.0 CG B:ASP210 3.9 17.0 1.0 CA B:ASP210 3.9 15.4 1.0 CA B:GLU358 4.0 25.3 1.0 C B:ASP210 4.0 14.1 1.0 OG B:SER356 4.0 15.7 1.0 CB B:GLU357 4.0 19.6 1.0 CA B:TYR211 4.1 16.3 1.0 C B:GLU357 4.2 21.5 1.0 O B:HOH675 4.2 19.6 1.0 CA B:GLU357 4.2 19.7 1.0 OD1 B:ASP210 4.3 18.3 1.0 CB B:ASP210 4.4 16.2 1.0 C B:SER356 4.5 17.7 1.0 O B:HOH605 4.5 10.1 1.0 CA B:SER356 4.6 15.8 1.0 CG B:GLU358 4.8 32.5 1.0 CG B:GLU357 4.9 21.1 1.0 O B:PHE209 5.0 17.3 1.0

Seattle Structural Genomics Center For Infectious Disease(Ssgcid), J.Abendroth, T.E.Edwards, B.Staker. Crystal Structure of Glutathione Reductase From Bartonella Henselae To Be Published.