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Chlorine in PDB 4zba: Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium with Oxidized Glutathione.

Protein crystallography data

The structure of Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium with Oxidized Glutathione., PDB code: 4zba 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) 46.30 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 53.641, 91.872, 180.014, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 16.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium with Oxidized Glutathione. (pdb code 4zba). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium with Oxidized Glutathione., PDB code: 4zba:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4zba

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Chlorine binding site 1 out of 5 in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium with Oxidized Glutathione.


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 with Oxidized Glutathione. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl301

b:7.3
occ:1.00
 OG1 A:THR59 3.0 7.1 1.0
OG A:SER16 3.1 7.7 1.0
O A:HOH540 3.3 8.4 1.0
N A:HIS13 3.4 7.8 1.0
CB A:SER16 3.4 8.1 1.0
N A:GLY19 3.4 6.7 1.0
CB A:THR59 3.5 6.7 1.0
N A:PRO60 3.6 6.4 1.0
C A:THR59 3.7 6.8 1.0
CB A:LEU12 3.7 7.2 1.0
CD A:PRO60 3.7 6.1 1.0
CA A:LEU12 3.7 6.2 1.0
CB A:PRO60 3.8 5.9 1.0
CA A:GLY19 3.9 7.0 1.0
O A:THR59 3.9 6.8 1.0
O A:HIS13 4.0 7.6 1.0
CA A:PRO60 4.0 6.6 1.0
C A:LEU12 4.1 7.0 1.0
CG A:PRO60 4.1 6.0 1.0
CA A:THR59 4.2 6.7 1.0
CA A:HIS13 4.3 8.9 1.0
C A:HIS18 4.4 5.9 1.0
CB A:HIS18 4.4 7.2 1.0
CB A:HIS13 4.5 8.1 1.0
CB2 A:GDS300 4.5 4.9 1.0
N A:HIS18 4.6 6.6 1.0
C A:HIS13 4.6 7.8 1.0
CA A:HIS18 4.6 6.0 1.0
CA A:SER16 4.7 8.3 1.0
CG2 A:THR59 4.8 7.6 1.0
O A:PHE11 4.8 7.4 1.0
C A:SER16 5.0 7.5 1.0

Chlorine binding site 2 out of 5 in 4zba

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Chlorine binding site 2 out of 5 in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium with Oxidized Glutathione.


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 with Oxidized Glutathione. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:8.0
occ:1.00
 OG1 B:THR59 3.0 7.5 1.0
OG B:SER16 3.1 7.2 1.0
O B:HOH565 3.3 9.8 1.0
CB B:SER16 3.3 7.5 1.0
N B:HIS13 3.4 6.6 1.0
N B:GLY19 3.4 7.3 1.0
CB B:THR59 3.5 7.4 1.0
N B:PRO60 3.6 5.6 1.0
CD B:PRO60 3.7 6.2 1.0
CB B:LEU12 3.7 9.2 1.0
C B:THR59 3.7 6.5 1.0
CB B:PRO60 3.7 7.3 1.0
CA B:LEU12 3.8 6.8 1.0
CA B:GLY19 3.9 7.7 1.0
O B:THR59 3.9 6.8 1.0
CA B:PRO60 4.0 6.2 1.0
O B:HIS13 4.0 7.1 1.0
C B:LEU12 4.1 7.5 1.0
CG B:PRO60 4.1 6.7 1.0
CA B:THR59 4.2 6.6 1.0
CA B:HIS13 4.4 7.5 1.0
CB B:HIS18 4.4 6.9 1.0
C B:HIS18 4.4 6.0 1.0
CB B:HIS13 4.5 8.3 1.0
CB5 B:GDS300 4.5 7.1 1.0
N B:HIS18 4.6 7.3 1.0
CA B:HIS18 4.6 6.2 1.0
C B:HIS13 4.6 7.4 1.0
CA B:SER16 4.7 8.4 1.0
CG2 B:THR59 4.8 8.9 1.0
O B:PHE11 4.8 7.2 1.0
C B:SER16 5.0 7.8 1.0
CG B:LEU12 5.0 9.3 1.0

Chlorine binding site 3 out of 5 in 4zba

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Chlorine binding site 3 out of 5 in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium with Oxidized Glutathione.


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 with Oxidized Glutathione. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl301

b:9.8
occ:1.00
 OG1 C:THR59 3.0 9.3 1.0
OG C:SER16 3.1 10.2 1.0
O C:HOH679 3.3 11.4 1.0
CB C:SER16 3.4 10.8 1.0
N C:GLY19 3.4 9.0 1.0
N C:HIS13 3.4 11.8 1.0
CB C:THR59 3.5 9.2 1.0
N C:PRO60 3.6 7.9 1.0
CD C:PRO60 3.6 7.4 1.0
CB C:LEU12 3.7 11.7 1.0
C C:THR59 3.7 9.1 1.0
CB C:PRO60 3.7 7.8 1.0
CA C:LEU12 3.7 10.7 1.0
CA C:GLY19 3.8 8.8 1.0
O C:THR59 3.9 8.8 1.0
CA C:PRO60 4.0 8.2 1.0
O C:HIS13 4.0 11.8 1.0
CG C:PRO60 4.1 7.3 1.0
C C:LEU12 4.1 12.4 1.0
CA C:THR59 4.2 9.6 1.0
C C:HIS18 4.4 9.4 1.0
CB C:HIS18 4.4 10.6 1.0
CA C:HIS13 4.4 11.7 1.0
CB C:HIS13 4.5 12.6 1.0
N C:HIS18 4.6 9.5 1.0
CB5 C:GDS300 4.6 8.4 1.0
CA C:HIS18 4.6 8.9 1.0
C C:HIS13 4.7 12.2 1.0
CA C:SER16 4.7 12.7 1.0
CG2 C:THR59 4.8 10.1 1.0
O C:PHE11 4.8 10.7 1.0

Chlorine binding site 4 out of 5 in 4zba

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Chlorine binding site 4 out of 5 in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium with Oxidized Glutathione.


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 with Oxidized Glutathione. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:15.4
occ:1.00
 O D:HOH727 3.1 17.9 1.0
O C:HOH588 3.2 15.3 1.0
NZ D:LYS46 3.3 8.3 1.0
NH1 C:ARG146 3.3 8.2 1.0
CD C:ARG146 3.7 9.0 1.0
CG C:ARG146 3.9 9.2 1.0
CE D:LYS46 3.9 8.9 1.0
CD D:LYS46 4.0 8.8 1.0
O D:ASN56 4.0 8.3 1.0
CE D:MET51 4.1 14.8 0.5
CZ C:ARG146 4.3 8.6 1.0
NE C:ARG146 4.5 8.9 1.0
C D:ASN56 4.7 7.8 1.0
NH1 C:ARG153 4.7 12.6 1.0
O C:HOH885 4.8 19.2 1.0
CG2 C:VAL150 4.8 8.0 1.0
O D:HOH495 4.8 12.5 1.0
O D:HOH720 5.0 29.9 1.0

Chlorine binding site 5 out of 5 in 4zba

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Chlorine binding site 5 out of 5 in the Crystal Structure of the Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium with Oxidized Glutathione.


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 Glutathione Transferase URE2P8 From Phanerochaete Chrysosporium with Oxidized Glutathione. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:8.6
occ:1.00
 OG1 D:THR59 3.0 7.5 1.0
OG D:SER16 3.1 8.7 1.0
O D:HOH493 3.4 9.8 1.0
N D:GLY19 3.4 7.8 1.0
CB D:SER16 3.4 9.1 1.0
N D:HIS13 3.4 8.4 1.0
CB D:THR59 3.5 7.8 1.0
N D:PRO60 3.6 6.7 1.0
C D:THR59 3.6 7.8 1.0
CD D:PRO60 3.7 6.9 1.0
CB D:LEU12 3.7 9.2 1.0
CB D:PRO60 3.7 7.9 1.0
CA D:LEU12 3.8 7.4 1.0
CA D:GLY19 3.8 7.9 1.0
O D:THR59 3.9 7.2 1.0
CA D:PRO60 4.0 7.8 1.0
O D:HIS13 4.0 9.1 1.0
CG D:PRO60 4.1 7.2 1.0
C D:LEU12 4.1 7.9 1.0
CA D:THR59 4.2 7.7 1.0
CB D:HIS18 4.3 8.6 1.0
C D:HIS18 4.4 9.2 1.0
CA D:HIS13 4.4 9.1 1.0
CB D:HIS13 4.5 9.0 1.0
N D:HIS18 4.5 9.0 1.0
CB5 D:GDS301 4.6 7.0 1.0
CA D:HIS18 4.6 8.2 1.0
C D:HIS13 4.7 9.3 1.0
CA D:SER16 4.7 9.2 1.0
CG2 D:THR59 4.8 8.7 1.0
O D:PHE11 4.8 9.1 1.0
C D:SER16 5.0 9.7 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: Sat Dec 12 11:27:46 2020

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