Chlorine in PDB 2x64: Glutathione-S-Transferase From Xylella Fastidiosa

The structure of Glutathione-S-Transferase From Xylella Fastidiosa, PDB code: 2x64 was solved by J.R.C.Muniz, N.C.Rodrigues, L.Bleicher, R.F.Travensolo, W.Garcia, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.67 / 2.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	47.670, 87.890, 90.780, 116.53, 99.33, 94.49
R / Rfree (%)	16.67 / 21.91

The binding sites of Chlorine atom in the Glutathione-S-Transferase From Xylella Fastidiosa (pdb code 2x64). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Glutathione-S-Transferase From Xylella Fastidiosa, PDB code: 2x64:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Glutathione-S-Transferase From Xylella Fastidiosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glutathione-S-Transferase From Xylella Fastidiosa within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1206 b:60.1 occ:1.00 O B:HOH2029 2.9 44.9 1.0 CH2 A:TRP94 3.8 33.2 1.0 CZ2 A:TRP94 4.0 33.1 1.0 CZ3 A:TRP94 4.0 33.4 1.0 CE2 A:TRP94 4.2 33.9 1.0 O B:HOH2025 4.2 48.9 1.0 OG1 B:THR60 4.2 32.5 1.0 CE3 A:TRP94 4.2 32.5 1.0 CD1 A:PHE97 4.3 31.7 1.0 CB A:PHE97 4.3 28.9 1.0 CD2 A:TRP94 4.3 30.5 1.0 NE2 B:GLN61 4.3 21.2 1.0 O A:ARG93 4.4 30.5 1.0 CG A:PHE97 4.5 30.0 1.0 NE A:ARG93 4.6 42.1 1.0 CG B:GLN61 4.7 24.8 1.0 CG A:ARG93 4.7 29.5 1.0 O B:HOH2028 4.9 43.2 1.0 NE1 A:TRP94 4.9 33.0 1.0 C A:ARG93 4.9 32.3 1.0

Chlorine binding site 2 out of 6 in the Glutathione-S-Transferase From Xylella Fastidiosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glutathione-S-Transferase From Xylella Fastidiosa within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1206 b:66.6 occ:1.00 O D:HOH2030 2.9 33.4 1.0 O D:HOH2009 3.8 48.7 1.0 NE2 D:GLN61 3.9 25.8 1.0 OG1 D:THR60 4.0 36.9 1.0 O D:HOH2019 4.2 49.0 1.0 O C:ARG93 4.3 30.9 1.0 CZ2 C:TRP94 4.4 34.3 1.0 CH2 C:TRP94 4.4 35.7 1.0 CB C:PHE97 4.4 29.7 1.0 CG D:GLN61 4.4 25.6 1.0 CZ3 C:TRP94 4.5 33.5 1.0 CE2 C:TRP94 4.5 33.3 1.0 CD1 C:PHE97 4.5 36.8 1.0 O D:HOH2021 4.5 43.4 1.0 NE C:ARG93 4.6 34.2 1.0 CE3 C:TRP94 4.6 29.9 1.0 CD2 C:TRP94 4.6 28.3 1.0 CG C:ARG93 4.6 37.4 1.0 CD D:GLN61 4.7 34.4 1.0 CG C:PHE97 4.7 33.2 1.0 C C:ARG93 4.8 29.5 1.0 OG D:SER46 4.9 70.7 1.0

Chlorine binding site 3 out of 6 in the Glutathione-S-Transferase From Xylella Fastidiosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glutathione-S-Transferase From Xylella Fastidiosa within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1206 b:73.7 occ:1.00 O C:HOH2036 2.8 34.8 1.0 O C:HOH2009 3.4 53.5 1.0 CG D:ARG93 3.6 23.2 1.0 NE D:ARG93 3.6 31.8 1.0 CE2 D:TRP94 3.7 29.5 1.0 CZ2 D:TRP94 3.8 30.1 1.0 CD2 D:TRP94 4.0 23.9 1.0 OG1 C:THR60 4.0 31.5 1.0 CH2 D:TRP94 4.0 30.7 1.0 CD D:ARG93 4.1 27.0 1.0 O D:ARG93 4.1 22.5 1.0 CE3 D:TRP94 4.2 26.2 1.0 NE1 D:TRP94 4.2 27.9 1.0 CZ3 D:TRP94 4.2 29.1 1.0 CB D:ARG93 4.2 20.9 1.0 C D:ARG93 4.3 24.1 1.0 CG C:GLN61 4.6 27.3 1.0 CZ D:ARG93 4.6 40.0 1.0 CG D:TRP94 4.6 23.1 1.0 CD1 D:TRP94 4.7 26.6 1.0 NE2 C:GLN61 4.7 18.8 1.0 O C:HOH2025 4.7 60.0 1.0 CB D:PHE97 4.7 23.3 1.0 N D:TRP94 4.8 21.5 1.0 NH2 D:ARG93 4.8 30.8 1.0 CA D:ARG93 4.9 21.9 1.0 O D:HOH2016 4.9 51.0 1.0

Chlorine binding site 4 out of 6 in the Glutathione-S-Transferase From Xylella Fastidiosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glutathione-S-Transferase From Xylella Fastidiosa within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl1206 b:64.8 occ:1.00 O F:HOH2018 2.9 45.2 1.0 CD E:ARG93 3.7 28.3 0.5 CG E:ARG93 3.9 30.6 0.5 O E:ARG93 4.0 28.2 0.5 OG1 F:THR60 4.0 40.4 1.0 CB E:PHE97 4.1 21.6 1.0 CH2 E:TRP94 4.1 28.6 1.0 NE2 F:GLN61 4.1 23.7 1.0 O E:ARG93 4.1 27.7 0.5 CD1 E:PHE97 4.1 25.5 1.0 CZ2 E:TRP94 4.2 28.8 1.0 CZ3 E:TRP94 4.2 26.7 1.0 CE3 E:TRP94 4.3 24.4 1.0 CE2 E:TRP94 4.3 28.8 1.0 CG E:PHE97 4.4 22.2 1.0 CD2 E:TRP94 4.4 23.8 1.0 CG F:GLN61 4.4 28.0 1.0 O E:HOH2071 4.5 34.0 1.0 C E:ARG93 4.6 28.4 0.5 O F:HOH2017 4.7 53.2 1.0 C E:ARG93 4.7 28.1 0.5 CD F:GLN61 4.8 30.0 1.0 NE E:ARG93 4.8 54.3 0.5 CB E:ARG93 4.9 23.2 0.5 CB E:ARG93 4.9 24.8 0.5 CG E:ARG93 4.9 36.4 0.5 NE E:ARG93 5.0 19.3 0.5

Chlorine binding site 5 out of 6 in the Glutathione-S-Transferase From Xylella Fastidiosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Glutathione-S-Transferase From Xylella Fastidiosa within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl1206 b:76.0 occ:1.00 O E:HOH2030 2.8 33.0 1.0 NE F:ARG93 3.1 32.9 1.0 CG F:ARG93 3.5 29.7 1.0 OG1 E:THR60 3.6 29.3 1.0 O E:HOH2029 3.7 34.2 1.0 CD F:ARG93 3.7 34.6 1.0 CE2 F:TRP94 3.9 21.2 1.0 CZ2 F:TRP94 3.9 21.1 1.0 CZ F:ARG93 4.0 33.5 1.0 O E:HOH2022 4.1 50.2 1.0 NH2 F:ARG93 4.1 28.4 1.0 CB F:ARG93 4.1 25.1 1.0 NE1 F:TRP94 4.2 20.6 1.0 CD2 F:TRP94 4.3 16.4 1.0 CH2 F:TRP94 4.4 20.6 1.0 O F:ARG93 4.4 25.9 1.0 O F:HOH2014 4.5 55.0 1.0 C F:ARG93 4.5 25.6 1.0 CE3 F:TRP94 4.7 17.2 1.0 CZ3 F:TRP94 4.7 18.8 1.0 CG E:GLN61 4.7 13.1 1.0 CD1 F:TRP94 4.8 20.9 1.0 CG F:TRP94 4.9 16.9 1.0 CA F:ARG93 4.9 24.4 1.0 N F:TRP94 5.0 20.1 1.0 CB E:THR60 5.0 27.8 1.0

Chlorine binding site 6 out of 6 in the Glutathione-S-Transferase From Xylella Fastidiosa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Glutathione-S-Transferase From Xylella Fastidiosa within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1206 b:63.5 occ:1.00 NE2 A:GLN61 3.6 25.1 1.0 OG1 A:THR60 4.0 46.7 1.0 CD1 B:PHE97 4.0 38.1 1.0 CB B:PHE97 4.1 32.9 1.0 O B:ARG93 4.3 29.7 1.0 CG B:PHE97 4.4 34.8 1.0 CG A:GLN61 4.4 30.5 1.0 CD A:GLN61 4.5 34.5 1.0 CH2 B:TRP94 4.6 30.4 1.0 CZ3 B:TRP94 4.6 28.1 1.0 CZ2 B:TRP94 4.7 31.7 1.0 CE3 B:TRP94 4.8 25.8 1.0 OG A:SER46 4.9 78.5 1.0 CE2 B:TRP94 4.9 31.8 1.0 NE B:ARG93 4.9 43.5 1.0 CD2 B:TRP94 4.9 25.9 1.0 CE1 B:PHE97 5.0 39.5 1.0 C B:ARG93 5.0 29.6 1.0 CA B:PHE97 5.0 29.9 1.0

N.C.Rodrigues, J.R.C.Muniz, L.Bleicher, W.Garcia, R.F.Travensolo, A.P.Ulian-De-Araujo, E.Carrilho, R.Garratt. Structural and Biophysical Characterization of the Recombinant Glutathione-S-Transferase From Xylella To Be Published.