Chlorine in PDB 6nxv: Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form

The structure of Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form, PDB code: 6nxv was solved by E.Hilario, S.De Keyser, L.Fan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.81 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.159, 105.500, 124.320, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24.1

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 25;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form (pdb code 6nxv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 25 binding sites of Chlorine where determined in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form, PDB code: 6nxv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 25 in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form


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 the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:74.2 occ:1.00 OH A:TYR74 3.7 46.9 1.0 O A:ASP60 4.0 58.2 1.0 OD2 A:ASP60 4.3 58.1 1.0 CB B:ALA89 4.3 39.3 1.0 CG A:ASP60 4.5 56.4 1.0 OD1 A:ASP60 4.6 56.2 1.0 C A:ASP60 4.8 55.5 1.0 CZ A:TYR74 5.0 46.6 1.0

Chlorine binding site 2 out of 25 in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form


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 the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:66.4 occ:1.00 OE2 A:GLU181 2.7 65.5 1.0 OE1 A:GLU181 3.1 55.6 1.0 CD A:GLU181 3.2 60.5 1.0 CG A:GLU181 4.6 57.4 1.0

Chlorine binding site 3 out of 25 in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form


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 the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:56.5 occ:1.00 NE1 A:TRP66 2.7 84.8 1.0 CD1 A:TRP66 2.9 74.9 1.0 CE2 A:TRP66 3.6 80.7 1.0 CG A:TRP66 3.8 70.9 1.0 CB B:ARG96 3.9 34.9 1.0 CD B:ARG96 4.0 40.2 1.0 CG B:ARG96 4.0 41.0 1.0 CD2 A:TRP66 4.1 76.1 1.0 O B:ARG96 4.2 38.5 1.0 N A:TRP66 4.4 44.5 1.0 CZ2 A:TRP66 4.4 77.2 1.0 CB A:GLU67 4.4 41.6 1.0 C B:ARG96 4.5 37.4 1.0 O A:TRP66 4.5 50.2 1.0 C A:TRP66 4.5 44.3 1.0 CD1 B:TRP100 4.7 39.5 1.0 CB B:TRP100 4.7 39.5 1.0 CA A:TRP66 4.8 49.2 1.0 CA B:ARG96 4.8 34.6 1.0 CB A:TRP66 4.9 56.2 1.0 N A:GLU67 4.9 38.1 1.0 OE1 A:GLU67 4.9 45.8 1.0 NE B:ARG96 4.9 40.1 1.0 CG B:TRP100 5.0 38.9 1.0

Chlorine binding site 4 out of 25 in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form


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 the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:46.2 occ:0.45 CL A:CL304 0.0 46.2 0.5 CL A:CL304 2.7 47.5 0.6 N A:SER13 3.7 41.4 1.0 OG A:SER13 3.7 51.9 1.0 CB A:SER13 4.1 44.6 1.0 CA A:SER12 4.5 43.4 1.0 CD2 A:PHE113 4.5 68.9 1.0 NH2 A:ARG118 4.5 72.8 1.0 CA A:SER13 4.5 45.6 1.0 C A:SER12 4.6 42.9 1.0 CE2 A:PHE113 4.6 68.3 1.0 OG A:SER12 4.7 45.1 1.0 CE1 A:PHE168 4.8 44.3 1.0 O A:ASN11 4.9 54.4 1.0

Chlorine binding site 5 out of 25 in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form


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 the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:47.5 occ:0.55 CL A:CL304 0.0 47.5 0.6 CL A:CL304 2.7 46.2 0.5 OG A:SER13 3.0 51.9 1.0 CD2 A:PHE113 3.4 68.9 1.0 CE2 A:PHE109 3.5 44.5 1.0 CG A:PHE113 3.5 64.7 1.0 CE2 A:PHE113 3.8 68.3 1.0 CB A:PHE113 4.0 57.9 1.0 CD1 A:PHE113 4.0 54.8 1.0 CB A:SER13 4.1 44.6 1.0 CZ A:PHE113 4.2 68.0 1.0 CD2 A:PHE109 4.2 48.4 1.0 CE1 A:PHE113 4.3 66.0 1.0 CE1 A:PHE168 4.4 44.3 1.0 CZ A:PHE109 4.4 44.2 1.0 CB A:ALA171 4.5 47.1 1.0 CD1 A:PHE168 4.5 44.6 1.0 N A:SER13 4.8 41.4 1.0

Chlorine binding site 6 out of 25 in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form


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 the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:64.4 occ:1.00 OE1 A:GLN186 4.2 40.6 1.0 NE2 A:GLN186 4.2 39.4 1.0 CD A:GLN186 4.5 36.5 1.0 OE1 A:GLU181 4.9 55.6 1.0

Chlorine binding site 7 out of 25 in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:84.0 occ:1.00 O A:HOH446 3.5 64.9 1.0 O A:TYR152 3.6 40.1 1.0 CB A:GLN150 3.7 56.1 1.0 O A:ALA146 3.8 48.5 1.0 CG A:GLN150 3.9 66.7 1.0 O A:LEU153 4.2 40.2 1.0 NH1 A:ARG96 4.4 67.7 1.0 CB A:ALA146 4.4 37.8 1.0 C A:ALA146 4.5 43.5 1.0 CA A:LEU153 4.6 40.8 1.0 C A:LEU153 4.6 40.0 1.0 C A:TYR152 4.6 41.4 1.0 O A:HOH420 4.6 53.9 1.0 N A:GLN150 4.7 54.0 1.0 CA A:GLN150 4.7 54.2 1.0 CD A:GLN150 4.7 72.1 1.0 NE1 A:TRP97 4.8 37.7 1.0 CA A:ALA146 4.8 40.3 1.0 N A:GLY155 4.9 44.9 1.0 O A:GLN150 4.9 47.1 1.0

Chlorine binding site 8 out of 25 in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:70.8 occ:1.00 OG B:SER13 3.2 53.5 1.0 CD2 B:PHE113 3.8 55.9 1.0 O B:HOH423 3.9 64.5 1.0 CG B:PHE113 4.0 49.5 1.0 CE2 B:PHE113 4.0 50.6 1.0 CB B:SER13 4.0 43.4 1.0 N B:SER13 4.3 44.7 1.0 CD1 B:PHE113 4.4 52.0 1.0 CZ B:PHE113 4.4 47.8 1.0 CE2 B:PHE109 4.4 44.6 1.0 CE1 B:PHE168 4.5 41.6 1.0 CB B:PHE113 4.5 47.5 1.0 CE1 B:PHE113 4.6 49.5 1.0 CD1 B:PHE168 4.7 42.3 1.0 CG B:ARG110 4.7 51.3 1.0 CA B:SER13 4.8 46.5 1.0 CB B:ALA171 4.9 43.7 1.0 NH1 B:ARG118 4.9 66.7 1.0 O B:ASN11 5.0 58.9 1.0

Chlorine binding site 9 out of 25 in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:75.1 occ:1.00 N B:ALA205 3.9 56.6 1.0 C B:THR204 4.0 54.1 1.0 O B:DMS301 4.1 66.9 1.0 O B:MET203 4.3 56.5 1.0 CA B:THR204 4.3 50.0 1.0 CA B:ALA205 4.4 54.4 1.0 O B:THR204 4.4 53.9 1.0 O C:ALA148 4.5 49.6 1.0 C B:MET203 4.9 50.2 1.0

Chlorine binding site 10 out of 25 in the Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:90.1 occ:1.00 O D:HOH406 3.0 55.5 1.0 O B:HOH402 3.4 44.9 1.0 CE D:MET1 3.8 65.2 1.0 NH2 B:ARG191 3.8 37.2 1.0 CB B:ALA187 4.4 39.4 1.0 O D:PRO2 4.4 69.2 1.0 NH1 B:ARG191 4.4 39.8 1.0 CB D:MET1 4.5 79.2 1.0 CZ B:ARG191 4.6 40.8 1.0 O B:LEU147 4.6 48.0 1.0 O D:MET1 4.7 78.3 1.0 CD2 B:HIS184 4.7 48.8 1.0 SD D:MET1 4.9 80.3 1.0 OG1 D:THR5 4.9 56.4 1.0

E.Hilario, S.De Keyser, L.Fan. Crystal Structure of the Theta Class Glutathione S-Transferase From the Citrus Canker Pathogen Xanthomonas Axonopodis Pv. Citri, Apo Form To Be Published.