Chlorine in PDB 9az1: Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae

The structure of Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae, PDB code: 9az1 was solved by P.J.Stogios, T.Skarina, Z.Choolaei, A.Yakunin, A.Savchenko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.02 / 2.30
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	94.552, 94.552, 98.498, 90, 90, 90
R / Rfree (%)	20.3 / 24.9

The structure of Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae (pdb code 9az1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae, PDB code: 9az1:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae


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 PR9465 Peroxidase From Pseudomonas Rhizosphaerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:50.4 occ:1.00 N A:GLU215 3.4 26.0 1.0 O A:HOH631 3.4 37.2 1.0 CG A:GLU215 3.5 33.1 1.0 NZ A:LYS213 3.8 33.9 1.0 NE2 A:GLN214 3.8 28.1 1.0 CB A:GLU215 3.8 27.7 1.0 CD A:GLU215 4.1 31.9 1.0 CA A:GLN214 4.1 29.5 1.0 OE2 A:GLU215 4.2 34.3 1.0 CA A:GLU215 4.2 29.2 1.0 C A:GLN214 4.2 28.9 1.0 OD1 A:ASN360 4.5 33.1 1.0 CD A:GLN214 4.5 28.9 1.0 O A:GLU215 4.7 31.8 1.0 O A:LYS213 4.7 30.4 1.0 N A:GLN214 4.7 28.8 1.0 CE A:LYS213 4.9 31.9 1.0 C A:GLU215 4.9 30.2 1.0 OE1 A:GLN214 4.9 28.3 1.0 C A:LYS213 4.9 30.4 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae


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 PR9465 Peroxidase From Pseudomonas Rhizosphaerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl504 b:57.4 occ:1.00 O A:HOH696 3.2 35.0 1.0 NE2 A:GLN231 3.3 42.5 1.0 NH1 A:ARG240 3.4 33.5 1.0 NH2 A:ARG240 3.5 33.1 1.0 CZ A:ARG240 3.9 33.8 1.0 CD A:GLN231 4.0 37.6 1.0 CG A:GLN231 4.2 36.2 1.0 O A:HOH819 4.3 43.4 1.0 O A:HOH668 4.4 41.1 1.0 O A:HOH858 4.7 36.1 1.0 O A:THR306 4.8 33.3 1.0 OE1 A:GLN231 4.9 35.7 1.0 O A:HOH783 4.9 30.7 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae


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 PR9465 Peroxidase From Pseudomonas Rhizosphaerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl505 b:56.1 occ:1.00 NZ A:LYS364 3.2 61.3 1.0 CB A:ASN363 3.9 44.0 1.0 N A:LYS364 4.0 47.1 1.0 CG A:LYS364 4.0 57.2 1.0 CA A:ASN363 4.1 42.8 1.0 CE A:LYS364 4.4 60.6 1.0 CD A:LYS364 4.5 58.3 1.0 C A:ASN363 4.5 46.4 1.0 CB A:LYS364 4.6 50.7 1.0 CA A:LYS364 4.9 46.9 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae


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 PR9465 Peroxidase From Pseudomonas Rhizosphaerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl506 b:44.1 occ:1.00 NH2 A:ARG97 3.7 41.4 1.0 NE A:ARG424 4.1 39.6 1.0 NH2 A:ARG424 4.3 53.5 1.0 NH1 A:ARG97 4.3 40.4 1.0 CZ A:ARG97 4.5 39.1 1.0 CZ A:ARG424 4.7 45.5 1.0 CE2 A:PHE421 4.8 33.1 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:57.4 occ:1.00 O A:HOH785 3.4 44.0 1.0 N A:GLN64 3.5 35.1 1.0 CA A:GLY63 4.0 33.7 1.0 CB A:GLN64 4.2 38.4 1.0 C A:GLY63 4.2 35.4 1.0 O A:HOH865 4.3 44.7 1.0 O A:HOH884 4.4 52.8 1.0 CA A:GLN64 4.4 35.0 1.0 N A:HIS65 4.4 34.9 1.0 ND1 A:HIS65 4.4 35.4 1.0 C A:GLN64 4.9 33.6 1.0 CE1 A:HIS65 4.9 37.3 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of PR9465 Peroxidase From Pseudomonas Rhizosphaerae within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl508 b:38.8 occ:1.00 N A:ASP206 3.1 34.7 1.0 N A:LEU207 3.3 32.7 1.0 CD A:PRO205 3.4 34.1 1.0 CB A:ASP206 3.4 38.2 1.0 CA A:ASP206 3.6 37.8 1.0 N A:PRO205 3.7 34.1 1.0 CG A:LEU207 3.7 34.8 1.0 C A:ASP206 3.8 35.4 1.0 CA A:LEU204 3.9 31.6 1.0 NH1 A:ARG94 3.9 35.9 1.0 C A:LEU204 4.0 33.7 1.0 CD1 A:LEU207 4.0 32.7 1.0 CG A:ASP206 4.1 42.9 1.0 CB A:LEU207 4.1 32.1 1.0 OD1 A:ASP206 4.2 51.2 1.0 CG A:PRO205 4.2 37.5 1.0 C A:PRO205 4.2 34.6 1.0 CA A:LEU207 4.3 33.6 1.0 O A:ASN203 4.5 34.0 1.0 CA A:PRO205 4.5 35.9 1.0 CD2 A:LEU204 4.7 31.9 1.0 O A:LEU204 4.8 35.0 1.0 CB A:LEU204 4.8 30.9 1.0 NH2 A:ARG94 4.8 41.1 1.0 CZ A:ARG94 4.9 38.4 1.0 N A:LEU204 4.9 32.5 1.0 O A:ASP206 4.9 35.8 1.0 CD2 A:LEU207 5.0 34.7 1.0 OD2 A:ASP206 5.0 44.8 1.0

P.J.Stogios, P.J.Stogios, T.Skarina, Z.Choolaei, A.Yakunin, A.Savchenko. N/A N/A.