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Chlorine in PDB 4zbb: Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene.

Protein crystallography data

The structure of Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene., PDB code: 4zbb was solved by T.Roret, C.Didierjean, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.26 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.451, 92.156, 184.734, 90.00, 90.00, 90.00
R / Rfree (%) 16.6 / 18.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene. (pdb code 4zbb). 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 the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene., PDB code: 4zbb:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4zbb

Go back to Chlorine Binding Sites List in 4zbb
Chlorine binding site 1 out of 4 in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene.


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 Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:11.5
occ:1.00
 OG1 A:THR59 2.9 10.4 1.0
OG A:SER16 3.1 14.3 1.0
CB A:SER16 3.3 13.2 1.0
O A:HOH451 3.4 9.1 1.0
N A:HIS13 3.4 9.9 1.0
CB A:THR59 3.4 9.4 1.0
N A:GLY19 3.5 11.5 1.0
C A:THR59 3.6 6.9 1.0
N A:PRO60 3.6 7.8 1.0
CD A:PRO60 3.7 8.4 1.0
CB A:PRO60 3.8 8.9 1.0
CB A:LEU12 3.8 9.9 1.0
CA A:LEU12 3.8 7.1 1.0
O A:THR59 3.9 6.9 1.0
CA A:GLY19 4.0 11.6 1.0
CA A:PRO60 4.0 8.5 1.0
CG A:PRO60 4.0 7.8 1.0
O A:HIS13 4.0 11.4 1.0
C A:LEU12 4.1 9.1 1.0
CA A:THR59 4.2 7.5 1.0
CB A:HIS18 4.2 14.6 1.0
CA A:HIS13 4.4 10.7 1.0
C A:HIS18 4.4 10.9 1.0
CB A:HIS13 4.5 7.5 1.0
N A:HIS18 4.5 11.6 1.0
CB2 A:GDN300 4.5 11.0 1.0
CA A:HIS18 4.6 11.9 1.0
CA A:SER16 4.6 13.1 1.0
C A:HIS13 4.7 10.9 1.0
CG2 A:THR59 4.7 11.0 1.0
O A:PHE11 4.9 7.8 1.0
C A:SER16 4.9 11.4 1.0

Chlorine binding site 2 out of 4 in 4zbb

Go back to Chlorine Binding Sites List in 4zbb
Chlorine binding site 2 out of 4 in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene.


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 Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl305

b:12.6
occ:1.00
 OG1 C:THR59 2.9 11.1 1.0
OG C:SER16 3.1 13.8 1.0
O C:HOH460 3.2 11.3 1.0
N C:HIS13 3.3 12.8 1.0
CB C:SER16 3.4 13.0 1.0
CB C:THR59 3.5 10.5 1.0
N C:GLY19 3.6 12.9 1.0
C C:THR59 3.7 9.0 1.0
CB C:LEU12 3.7 11.5 1.0
N C:PRO60 3.7 10.4 1.0
CA C:LEU12 3.7 12.3 1.0
CD C:PRO60 3.8 11.8 1.0
CB C:PRO60 3.8 13.4 1.0
O C:THR59 3.9 9.8 1.0
O C:HIS13 3.9 14.8 1.0
CA C:GLY19 4.0 13.5 1.0
C C:LEU12 4.0 14.1 1.0
CA C:PRO60 4.1 11.6 1.0
CG C:PRO60 4.1 11.6 1.0
CA C:THR59 4.3 9.4 1.0
CA C:HIS13 4.3 15.5 1.0
CB C:HIS13 4.4 11.4 1.0
CB C:HIS18 4.4 10.7 1.0
C C:HIS18 4.5 12.6 1.0
CB2 C:GDN300 4.6 7.5 1.0
C C:HIS13 4.6 15.0 1.0
N C:HIS18 4.6 12.7 1.0
CA C:SER16 4.7 13.7 1.0
CA C:HIS18 4.7 11.2 1.0
CG2 C:THR59 4.8 11.7 1.0
O C:PHE11 4.8 13.6 1.0
C C:SER16 4.9 13.8 1.0
CG C:LEU12 5.0 15.5 1.0

Chlorine binding site 3 out of 4 in 4zbb

Go back to Chlorine Binding Sites List in 4zbb
Chlorine binding site 3 out of 4 in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene.


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 Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:11.5
occ:1.00
 OG1 B:THR59 3.0 7.1 1.0
OG B:SER16 3.0 15.8 1.0
CB B:SER16 3.3 16.1 1.0
O B:HOH509 3.3 7.1 1.0
N B:HIS13 3.3 8.4 1.0
CB B:THR59 3.5 6.5 1.0
N B:GLY19 3.5 8.9 1.0
CD B:PRO60 3.7 8.6 1.0
N B:PRO60 3.7 7.1 1.0
C B:THR59 3.7 8.9 1.0
CB B:LEU12 3.7 8.7 1.0
CA B:LEU12 3.8 8.6 1.0
CB B:PRO60 3.9 10.4 1.0
O B:THR59 3.9 9.1 1.0
O B:HIS13 4.0 9.9 1.0
CA B:GLY19 4.0 8.2 1.0
C B:LEU12 4.1 8.6 1.0
CG B:PRO60 4.1 8.1 1.0
CA B:PRO60 4.1 7.2 1.0
CB B:HIS18 4.2 12.8 1.0
CA B:THR59 4.2 8.7 1.0
CA B:HIS13 4.3 9.5 1.0
CB B:HIS13 4.3 9.2 1.0
CB2 B:GDN300 4.4 8.6 1.0
C B:HIS18 4.4 10.9 1.0
N B:HIS18 4.5 9.4 1.0
C B:HIS13 4.6 9.8 1.0
CA B:HIS18 4.6 10.8 1.0
CA B:SER16 4.6 12.8 1.0
CG2 B:THR59 4.7 6.8 1.0
C B:SER16 4.9 12.7 1.0
ND1 B:HIS18 5.0 17.5 1.0
O B:PHE11 5.0 9.5 1.0

Chlorine binding site 4 out of 4 in 4zbb

Go back to Chlorine Binding Sites List in 4zbb
Chlorine binding site 4 out of 4 in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene.


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 Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium Complexed with Glutathionyl-S- Dinitrobenzene. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl303

b:11.9
occ:1.00
 OG1 D:THR59 3.0 9.7 1.0
OG D:SER16 3.2 14.3 1.0
O D:HOH493 3.3 11.1 1.0
CB D:SER16 3.4 15.0 1.0
CB D:THR59 3.4 9.9 1.0
N D:GLY19 3.4 8.9 1.0
N D:HIS13 3.4 13.7 1.0
CD D:PRO60 3.6 10.3 1.0
N D:PRO60 3.6 9.9 1.0
C D:THR59 3.6 9.2 1.0
CB D:LEU12 3.7 8.1 1.0
CB D:PRO60 3.7 9.7 1.0
CA D:LEU12 3.8 9.0 1.0
O D:THR59 3.8 9.0 1.0
CA D:GLY19 3.9 8.8 1.0
CG D:PRO60 3.9 9.0 1.0
CA D:PRO60 4.0 8.8 1.0
O D:HIS13 4.1 12.1 1.0
C D:LEU12 4.2 11.9 1.0
CA D:THR59 4.2 8.6 1.0
CB D:HIS18 4.2 15.8 1.0
C D:HIS18 4.4 10.1 1.0
CA D:HIS13 4.4 10.8 1.0
CB2 D:GDN300 4.5 8.2 1.0
CB D:HIS13 4.5 11.4 1.0
N D:HIS18 4.5 10.4 1.0
CA D:HIS18 4.6 9.4 1.0
CG2 D:THR59 4.7 10.3 1.0
C D:HIS13 4.7 11.6 1.0
CA D:SER16 4.7 12.8 1.0
O D:PHE11 4.9 9.1 1.0
CG D:LEU12 5.0 8.4 1.0
ND1 D:HIS18 5.0 20.4 1.0

Reference:

T.Roret, A.Thuillier, F.Favier, E.Gelhaye, C.Didierjean, M.Morel-Rouhier. Evolutionary Divergence of URE2PA Glutathione Transferases in Wood Degrading Fungi. Fungal Genet. Biol. V. 83 103 2015.
ISSN: ISSN 1096-0937
PubMed: 26348000
DOI: 10.1016/J.FGB.2015.09.002
Page generated: Fri Jul 26 04:30:23 2024

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