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Chlorine in PDB 6f05: Arabidopsis Thaliana GSTF9, GSO3 Bound

Enzymatic activity of Arabidopsis Thaliana GSTF9, GSO3 Bound

All present enzymatic activity of Arabidopsis Thaliana GSTF9, GSO3 Bound:
2.5.1.18;

Protein crystallography data

The structure of Arabidopsis Thaliana GSTF9, GSO3 Bound, PDB code: 6f05 was solved by M.A.Tossounian, K.Wahni, I.Vanmolle, D.Vertommen, L.Rosado, J.Messens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 65.73 / 2.20
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 61.430, 93.970, 107.710, 93.19, 101.57, 101.97
R / Rfree (%) 16.2 / 20.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Arabidopsis Thaliana GSTF9, GSO3 Bound (pdb code 6f05). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Arabidopsis Thaliana GSTF9, GSO3 Bound, PDB code: 6f05:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 6f05

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Chlorine binding site 1 out of 9 in the Arabidopsis Thaliana GSTF9, GSO3 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Arabidopsis Thaliana GSTF9, GSO3 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:35.5
occ:1.00
 CD A:PRO8 3.3 27.6 1.0
N A:HIS9 3.4 32.9 1.0
CA A:GLY7 3.4 35.3 1.0
C A:GLY7 3.4 37.2 1.0
CA A:PRO31 3.5 40.7 1.0
N A:VAL32 3.5 40.0 1.0
O A:HOH502 3.5 48.4 1.0
N A:PRO8 3.5 32.6 1.0
CB A:HIS9 3.5 41.0 1.0
ND1 A:HIS9 3.7 57.6 1.0
CG A:HIS9 3.8 55.5 1.0
CB A:PRO31 3.9 39.4 1.0
CE2 A:PHE10 3.9 39.8 1.0
CG A:PRO8 3.9 33.3 1.0
O A:GLY7 4.0 37.0 1.0
C A:PRO31 4.0 41.1 1.0
O A:VAL32 4.0 37.6 1.0
CD2 A:PHE10 4.0 38.5 1.0
CA A:HIS9 4.1 36.5 1.0
N A:GLY7 4.3 33.0 1.0
C A:PRO8 4.4 38.9 1.0
CA A:PRO8 4.5 36.6 1.0
CA A:VAL32 4.6 43.2 1.0
N A:PRO31 4.6 47.3 1.0
C A:VAL32 4.6 38.7 1.0
CE1 A:HIS9 4.6 62.4 1.0
O A:ILE30 4.7 44.8 1.0
CD2 A:HIS9 4.7 54.6 1.0
N A:PHE10 4.9 32.9 1.0
C A:HIS9 4.9 39.4 1.0
CB A:PRO8 4.9 34.9 1.0

Chlorine binding site 2 out of 9 in 6f05

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Chlorine binding site 2 out of 9 in the Arabidopsis Thaliana GSTF9, GSO3 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Arabidopsis Thaliana GSTF9, GSO3 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl304

b:34.4
occ:1.00
 O B:HOH507 3.3 36.3 1.0
O B:HOH506 3.3 40.9 1.0
N B:VAL32 3.4 38.2 1.0
CA B:PRO31 3.4 42.8 1.0
N B:HIS9 3.4 25.1 1.0
CA B:GLY7 3.5 27.9 1.0
C B:GLY7 3.5 27.6 1.0
CD B:PRO8 3.5 25.1 1.0
CB B:HIS9 3.6 30.6 1.0
N B:PRO8 3.6 26.0 1.0
ND1 B:HIS9 3.7 41.0 1.0
CG B:HIS9 3.7 34.9 1.0
CB B:PRO31 3.9 43.4 1.0
CE2 B:PHE10 3.9 33.7 1.0
C B:PRO31 3.9 41.5 1.0
O B:GLY7 4.0 30.3 1.0
O B:VAL32 4.0 38.7 1.0
CG B:PRO8 4.1 25.4 1.0
CD2 B:PHE10 4.1 30.8 1.0
CA B:HIS9 4.1 30.7 1.0
N B:GLY7 4.4 25.9 1.0
C B:PRO8 4.4 28.4 1.0
CA B:VAL32 4.5 40.4 1.0
CA B:PRO8 4.5 24.4 1.0
CE1 B:HIS9 4.5 47.5 1.0
C B:VAL32 4.6 43.4 1.0
N B:PRO31 4.6 43.7 1.0
O B:ILE30 4.6 31.8 1.0
CD2 B:HIS9 4.7 31.4 1.0
N B:PHE10 5.0 24.4 1.0

Chlorine binding site 3 out of 9 in 6f05

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Chlorine binding site 3 out of 9 in the Arabidopsis Thaliana GSTF9, GSO3 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Arabidopsis Thaliana GSTF9, GSO3 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl302

b:44.1
occ:1.00
 N C:VAL32 3.3 49.8 1.0
CD C:PRO8 3.5 33.1 1.0
CA C:GLY7 3.5 39.3 1.0
N C:HIS9 3.5 39.4 1.0
CA C:PRO31 3.5 58.5 1.0
C C:GLY7 3.5 42.6 1.0
N C:PRO8 3.6 33.8 1.0
CB C:HIS9 3.7 48.3 1.0
O C:VAL32 3.8 41.0 1.0
CE2 C:PHE10 3.8 44.5 1.0
C C:PRO31 3.9 58.8 1.0
CG C:HIS9 3.9 57.4 1.0
ND1 C:HIS9 4.0 66.6 1.0
CD2 C:PHE10 4.0 43.0 1.0
CB C:PRO31 4.1 59.9 1.0
CG C:PRO8 4.1 33.2 1.0
O C:GLY7 4.1 42.5 1.0
CA C:HIS9 4.2 41.3 1.0
N C:GLY7 4.4 41.0 1.0
CA C:VAL32 4.4 50.2 1.0
C C:VAL32 4.4 46.9 1.0
C C:PRO8 4.5 39.7 1.0
CA C:PRO8 4.6 34.1 1.0
O C:ILE30 4.6 48.2 1.0
N C:PRO31 4.7 59.3 1.0
CD2 C:HIS9 4.8 57.9 1.0
CE1 C:HIS9 4.8 68.6 1.0
CB C:VAL32 4.9 49.2 1.0
N C:PHE10 5.0 30.1 1.0
CZ C:PHE10 5.0 44.9 1.0

Chlorine binding site 4 out of 9 in 6f05

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Chlorine binding site 4 out of 9 in the Arabidopsis Thaliana GSTF9, GSO3 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Arabidopsis Thaliana GSTF9, GSO3 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl302

b:48.9
occ:1.00
 CA D:GLY7 3.3 39.1 1.0
N D:HIS9 3.4 45.7 1.0
C D:GLY7 3.4 42.3 1.0
N D:VAL32 3.4 50.7 1.0
CD D:PRO8 3.5 49.6 1.0
N D:PRO8 3.5 46.6 1.0
CB D:HIS9 3.5 59.1 1.0
CG D:HIS9 3.6 71.9 1.0
CA D:PRO31 3.6 43.0 1.0
ND1 D:HIS9 3.6 75.8 1.0
O D:VAL32 3.7 47.1 1.0
CE2 D:PHE10 3.7 42.5 1.0
O D:GLY7 4.0 43.5 1.0
CD2 D:PHE10 4.0 40.4 1.0
C D:PRO31 4.0 51.9 1.0
CA D:HIS9 4.1 53.5 1.0
CB D:PRO31 4.1 52.2 1.0
CG D:PRO8 4.1 54.2 1.0
N D:GLY7 4.3 41.7 1.0
C D:VAL32 4.3 51.8 1.0
CD2 D:HIS9 4.3 75.8 1.0
CE1 D:HIS9 4.3 79.0 1.0
C D:PRO8 4.4 49.5 1.0
CA D:VAL32 4.4 48.9 1.0
CA D:PRO8 4.5 47.0 1.0
O D:ILE30 4.7 44.2 1.0
NE2 D:HIS9 4.7 79.3 1.0
N D:PRO31 4.8 45.9 1.0
CZ D:PHE10 4.8 43.9 1.0
N D:PHE10 4.9 41.4 1.0
C D:HIS9 4.9 52.0 1.0

Chlorine binding site 5 out of 9 in 6f05

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Chlorine binding site 5 out of 9 in the Arabidopsis Thaliana GSTF9, GSO3 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Arabidopsis Thaliana GSTF9, GSO3 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl302

b:52.5
occ:1.00
 N E:HIS9 3.4 47.6 1.0
CB E:HIS9 3.5 49.9 1.0
CA E:GLY7 3.5 49.2 1.0
C E:GLY7 3.5 47.0 1.0
N E:VAL32 3.6 62.9 1.0
CD E:PRO8 3.6 41.9 1.0
N E:PRO8 3.7 43.9 1.0
ND1 E:HIS9 3.7 63.5 1.0
CG E:HIS9 3.7 60.4 1.0
CA E:PRO31 3.7 62.7 1.0
CE2 E:PHE10 3.8 56.6 1.0
O E:VAL32 4.0 53.9 1.0
CD2 E:PHE10 4.0 46.5 1.0
CA E:HIS9 4.0 50.4 1.0
O E:GLY7 4.1 45.3 1.0
CB E:PRO31 4.1 57.1 1.0
CG E:PRO8 4.2 41.2 1.0
C E:PRO31 4.2 66.4 1.0
C E:PRO8 4.4 41.1 1.0
N E:GLY7 4.4 49.6 1.0
CE1 E:HIS9 4.5 68.0 1.0
CA E:PRO8 4.6 37.0 1.0
CD2 E:HIS9 4.6 58.5 1.0
C E:VAL32 4.6 58.5 1.0
CA E:VAL32 4.6 63.2 1.0
N E:PRO31 4.9 66.3 1.0
CZ E:PHE10 4.9 49.7 1.0
N E:PHE10 4.9 43.9 1.0
C E:HIS9 4.9 45.7 1.0
O E:ILE30 5.0 68.2 1.0

Chlorine binding site 6 out of 9 in 6f05

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Chlorine binding site 6 out of 9 in the Arabidopsis Thaliana GSTF9, GSO3 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Arabidopsis Thaliana GSTF9, GSO3 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl302

b:50.1
occ:1.00
 O F:HOH443 3.1 59.6 1.0
ND1 F:HIS9 3.2 76.2 1.0
N F:HIS9 3.4 38.8 1.0
CA F:GLY7 3.5 53.3 1.0
N F:VAL32 3.5 53.3 1.0
C F:GLY7 3.5 51.6 1.0
CD F:PRO8 3.5 34.5 1.0
CA F:PRO31 3.6 59.2 1.0
CB F:HIS9 3.6 53.5 1.0
N F:PRO8 3.6 48.0 1.0
CE2 F:PHE10 3.7 54.6 1.0
CG F:HIS9 3.8 69.7 1.0
O F:VAL32 4.0 47.5 1.0
CD2 F:PHE10 4.0 48.4 1.0
CB F:PRO31 4.0 61.8 1.0
O F:GLY7 4.0 43.6 1.0
C F:PRO31 4.0 56.8 1.0
CA F:HIS9 4.1 44.9 1.0
CG F:PRO8 4.1 40.6 1.0
CE1 F:HIS9 4.3 79.1 1.0
N F:GLY7 4.4 55.2 1.0
C F:PRO8 4.4 44.7 1.0
CA F:PRO8 4.5 45.1 1.0
CA F:VAL32 4.6 54.8 1.0
C F:VAL32 4.6 55.6 1.0
N F:PRO31 4.7 58.8 1.0
O F:ILE30 4.8 49.9 1.0
CZ F:PHE10 4.8 56.8 1.0
N F:PHE10 4.9 35.3 1.0
C F:HIS9 4.9 44.8 1.0

Chlorine binding site 7 out of 9 in 6f05

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Chlorine binding site 7 out of 9 in the Arabidopsis Thaliana GSTF9, GSO3 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Arabidopsis Thaliana GSTF9, GSO3 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl302

b:0.4
occ:1.00
 N G:VAL32 3.3 80.3 1.0
CA G:GLY7 3.4 62.3 1.0
CA G:PRO31 3.5 70.8 1.0
CD G:PRO8 3.5 63.3 1.0
C G:GLY7 3.6 63.6 1.0
N G:HIS9 3.6 68.0 1.0
CB G:HIS9 3.7 75.2 1.0
N G:PRO8 3.7 68.5 1.0
CB G:PRO31 3.9 70.0 1.0
CE2 G:PHE10 3.9 60.5 0.9
C G:PRO31 3.9 76.8 1.0
ND1 G:HIS9 3.9 87.7 1.0
CG G:HIS9 4.0 82.2 1.0
O G:VAL32 4.1 76.2 1.0
CD2 G:PHE10 4.1 61.7 0.9
O G:GLY7 4.1 61.2 1.0
CG G:PRO8 4.2 64.0 1.0
CA G:HIS9 4.2 71.7 1.0
N G:GLY7 4.3 64.1 1.0
CA G:VAL32 4.4 82.1 1.0
C G:PRO8 4.6 66.8 1.0
C G:VAL32 4.6 80.5 1.0
N G:PRO31 4.7 68.4 1.0
CA G:PRO8 4.7 67.6 1.0
CE1 G:HIS9 4.9 91.7 1.0
O G:ILE30 4.9 65.0 1.0
CD2 G:HIS9 4.9 85.6 1.0
CB G:VAL32 5.0 79.2 1.0
N G:PHE10 5.0 61.9 0.9

Chlorine binding site 8 out of 9 in 6f05

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Chlorine binding site 8 out of 9 in the Arabidopsis Thaliana GSTF9, GSO3 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Arabidopsis Thaliana GSTF9, GSO3 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl302

b:48.6
occ:1.00
 N H:HIS9 3.3 44.1 1.0
CA H:GLY7 3.3 40.4 1.0
C H:GLY7 3.3 46.5 1.0
CD H:PRO8 3.4 44.5 1.0
N H:PRO8 3.4 45.1 1.0
N H:VAL32 3.5 48.9 1.0
CB H:HIS9 3.6 49.0 1.0
CA H:PRO31 3.7 56.2 1.0
CE2 H:PHE10 3.7 43.0 1.0
O H:GLY7 3.9 46.4 1.0
CG H:HIS9 3.9 64.2 1.0
O H:VAL32 3.9 46.4 1.0
CD2 H:PHE10 4.0 39.2 1.0
ND1 H:HIS9 4.0 73.4 1.0
CA H:HIS9 4.0 47.7 1.0
CG H:PRO8 4.1 45.3 1.0
C H:PRO31 4.1 48.7 1.0
CB H:PRO31 4.2 55.5 1.0
N H:GLY7 4.3 35.1 1.0
C H:PRO8 4.3 42.2 1.0
CA H:PRO8 4.4 41.3 1.0
CA H:VAL32 4.5 47.7 1.0
C H:VAL32 4.5 49.0 1.0
CD2 H:HIS9 4.7 67.5 1.0
O H:ILE30 4.8 40.5 1.0
CZ H:PHE10 4.8 48.2 1.0
CE1 H:HIS9 4.8 74.2 1.0
N H:PHE10 4.9 42.8 1.0
N H:PRO31 4.9 52.2 1.0
C H:HIS9 4.9 50.7 1.0
CB H:PRO8 4.9 45.4 1.0
CB H:VAL32 5.0 45.9 1.0

Chlorine binding site 9 out of 9 in 6f05

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Chlorine binding site 9 out of 9 in the Arabidopsis Thaliana GSTF9, GSO3 Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Arabidopsis Thaliana GSTF9, GSO3 Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl302

b:36.2
occ:1.00
 O I:HOH486 3.2 48.2 1.0
CD I:PRO8 3.3 28.4 1.0
N I:HIS9 3.3 32.9 1.0
CA I:GLY7 3.4 30.0 1.0
C I:GLY7 3.4 31.7 1.0
N I:PRO8 3.5 30.9 1.0
CB I:HIS9 3.5 43.9 1.0
N I:VAL32 3.6 28.2 1.0
CA I:PRO31 3.6 36.4 1.0
CE2 I:PHE10 3.8 31.7 1.0
CG I:HIS9 3.9 52.3 1.0
ND1 I:HIS9 3.9 66.0 1.0
O I:GLY7 3.9 26.9 1.0
CG I:PRO8 4.0 30.1 1.0
CD2 I:PHE10 4.0 23.9 1.0
CB I:PRO31 4.0 30.5 1.0
CA I:HIS9 4.0 33.4 1.0
O I:VAL32 4.1 38.0 1.0
C I:PRO31 4.2 32.5 1.0
N I:GLY7 4.3 29.0 1.0
C I:PRO8 4.3 37.8 1.0
CA I:PRO8 4.4 34.7 1.0
CA I:VAL32 4.7 27.1 1.0
C I:VAL32 4.7 35.0 1.0
N I:PRO31 4.8 36.3 1.0
O I:ILE30 4.8 38.2 1.0
N I:PHE10 4.8 23.8 1.0
CE1 I:HIS9 4.8 64.4 1.0
C I:HIS9 4.8 33.3 1.0
CD2 I:HIS9 4.9 51.0 1.0
CB I:PRO8 4.9 30.8 1.0

Reference:

M.A.Tossounian, K.Wahni, I.Van Molle, D.Vertommen, L.Astolfi Rosado, J.Messens. Redox-Regulated Methionine Oxidation of Arabidopsis Thaliana Glutathione Transferase PHI9 Induces H-Site Flexibility. Protein Sci. V. 28 56 2019.
ISSN: ESSN 1469-896X
PubMed: 29732642
DOI: 10.1002/PRO.3440
Page generated: Sat Jul 27 22:45:44 2024

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