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Bromine in PDB 19gs: Glutathione S-Transferase P1-1

Enzymatic activity of Glutathione S-Transferase P1-1

All present enzymatic activity of Glutathione S-Transferase P1-1:
2.5.1.18;

Protein crystallography data

The structure of Glutathione S-Transferase P1-1, PDB code: 19gs was solved by A.J.Oakley, M.Lo Bello, M.W.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 15.00 / 1.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 77.742, 89.984, 68.842, 90.00, 97.54, 90.00
R / Rfree (%) 21.2 / 24.9

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Bromine atom in the Glutathione S-Transferase P1-1 (pdb code 19gs). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 16 binding sites of Bromine where determined in the Glutathione S-Transferase P1-1, PDB code: 19gs:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 16 in 19gs

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Bromine binding site 1 out of 16 in the Glutathione S-Transferase P1-1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Glutathione S-Transferase P1-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br210

b:87.5
occ:0.50
BR6 A:BSP210 0.0 87.5 0.5
BR4 A:BSP210 0.3 87.5 0.5
C4 A:BSP210 1.7 75.2 0.5
C6 A:BSP210 2.0 72.5 0.5
C3 A:BSP210 2.6 71.5 0.5
C5 A:BSP210 2.8 74.8 0.5
C7 A:BSP210 3.0 71.5 0.5
C5 A:BSP210 3.0 69.1 0.5
N3 A:GSH211 3.1 29.2 0.5
C2 A:BSP210 3.2 68.0 0.5
CB2 A:GSH211 3.4 27.7 0.5
BR5 A:BSP210 3.4 77.0 0.5
BR7 A:BSP210 3.4 70.7 0.5
BR5 A:BSP210 3.5 65.1 0.5
C2 A:GSH211 3.8 27.5 0.5
CA3 A:GSH211 3.8 30.4 0.5
CA2 A:GSH211 3.9 27.1 0.5
C8 A:BSP210 4.0 68.8 0.5
CE2 A:PHE8 4.0 26.8 1.0
C6 A:BSP210 4.1 72.0 0.5
C8 A:BSP210 4.3 68.5 0.5
C4 A:BSP210 4.3 65.8 0.5
CZ A:PHE8 4.4 25.6 1.0
CD2 A:PHE8 4.6 26.0 1.0
C7 A:BSP210 4.6 69.9 0.5
O1 A:BSP210 4.7 66.4 0.5
O2 A:GSH211 4.7 24.1 0.5
SG2 A:GSH211 4.8 30.0 0.5
C3 A:BSP210 4.8 67.0 0.5
C3 A:GSH211 5.0 33.5 0.5

Bromine binding site 2 out of 16 in 19gs

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Bromine binding site 2 out of 16 in the Glutathione S-Transferase P1-1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Glutathione S-Transferase P1-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br210

b:73.0
occ:0.50
BR6 A:BSP210 0.0 73.0 0.5
C6 A:BSP210 2.0 72.0 0.5
SG2 A:GSH211 2.4 30.0 0.5
O A:HOH282 2.7 41.7 1.0
C7 A:BSP210 2.9 69.9 0.5
C5 A:BSP210 3.0 74.8 0.5
BR5 A:BSP210 3.3 77.0 0.5
BR7 A:BSP210 3.4 69.7 0.5
O A:HOH238 3.8 17.9 1.0
CB2 A:GSH211 3.8 27.7 0.5
CD A:ARG13 3.9 14.8 1.0
CG A:ARG13 4.0 16.0 1.0
NE A:ARG13 4.1 15.1 1.0
CD1 A:ILE104 4.1 14.8 1.0
OH A:TYR7 4.1 11.5 1.0
C8 A:BSP210 4.3 68.8 0.5
OE1 A:GSH211 4.3 26.6 0.5
C4 A:BSP210 4.3 75.2 0.5
CG1 A:ILE104 4.6 14.7 1.0
CA2 A:GSH211 4.6 27.1 0.5
CB A:ARG13 4.6 13.2 1.0
CD1 A:GSH211 4.7 26.3 0.5
CG2 A:ILE104 4.7 17.0 1.0
N A:ARG13 4.8 14.0 1.0
N2 A:GSH211 4.8 27.3 0.5
CE2 A:TYR108 4.8 17.7 1.0
O A:HOH272 4.8 18.1 1.0
C3 A:BSP210 4.8 71.5 0.5
OH A:TYR108 4.9 19.6 1.0

Bromine binding site 3 out of 16 in 19gs

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Bromine binding site 3 out of 16 in the Glutathione S-Transferase P1-1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Glutathione S-Transferase P1-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br210

b:70.7
occ:0.50
BR7 A:BSP210 0.0 70.7 0.5
C7 A:BSP210 2.0 71.5 0.5
C8 A:BSP210 2.9 68.5 0.5
C6 A:BSP210 3.0 72.5 0.5
O9 A:BSP210 3.2 67.9 0.5
BR4 A:BSP210 3.3 87.5 0.5
C9 A:BSP210 3.4 68.4 0.5
BR6 A:BSP210 3.4 87.5 0.5
CA3 A:GSH211 3.5 30.4 0.5
NE1 A:TRP38 3.8 29.5 1.0
CD1 A:TRP38 3.9 33.0 1.0
N3 A:GSH211 4.1 29.2 0.5
C3 A:GSH211 4.2 33.5 0.5
O31 A:GSH211 4.3 33.7 0.5
C3 A:BSP210 4.3 67.0 0.5
C2 A:BSP210 4.3 68.0 0.5
C5 A:BSP210 4.3 69.1 0.5
O1 A:BSP210 4.8 67.9 0.5
C4 A:BSP210 4.9 75.2 0.5
C4 A:BSP210 4.9 65.8 0.5
CZ A:PHE8 4.9 25.6 1.0
C3 A:BSP210 5.0 71.5 0.5

Bromine binding site 4 out of 16 in 19gs

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Bromine binding site 4 out of 16 in the Glutathione S-Transferase P1-1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Glutathione S-Transferase P1-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br210

b:69.7
occ:0.50
BR7 A:BSP210 0.0 69.7 0.5
C7 A:BSP210 2.0 69.9 0.5
OE1 A:GSH211 2.3 26.6 0.5
C8 A:BSP210 2.9 68.8 0.5
C6 A:BSP210 3.0 72.0 0.5
O9 A:BSP210 3.2 64.7 0.5
CD1 A:GSH211 3.4 26.3 0.5
C9 A:BSP210 3.4 66.9 0.5
BR6 A:BSP210 3.4 73.0 0.5
NE A:ARG13 3.9 15.1 1.0
CB1 A:GSH211 4.1 21.6 0.5
SG2 A:GSH211 4.1 30.0 0.5
N2 A:GSH211 4.2 27.3 0.5
CG1 A:GSH211 4.3 24.5 0.5
CG2 A:ILE104 4.3 17.0 1.0
C5 A:BSP210 4.3 74.8 0.5
C3 A:BSP210 4.3 71.5 0.5
CD1 A:ILE104 4.3 14.8 1.0
CA2 A:GSH211 4.4 27.1 0.5
CD A:ARG13 4.5 14.8 1.0
CB2 A:GSH211 4.7 27.7 0.5
NH2 A:ARG13 4.8 15.7 1.0
O1 A:BSP210 4.8 66.4 0.5
CZ A:ARG13 4.8 17.0 1.0
C4 A:BSP210 4.9 75.2 0.5

Bromine binding site 5 out of 16 in 19gs

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Bromine binding site 5 out of 16 in the Glutathione S-Transferase P1-1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Glutathione S-Transferase P1-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br210

b:65.1
occ:0.50
BR5 A:BSP210 0.0 65.1 0.5
C5 A:BSP210 2.0 69.1 0.5
BR5 A:BSP210 2.6 77.0 0.5
C4 A:BSP210 2.9 65.8 0.5
C6 A:BSP210 3.0 72.5 0.5
BR4 A:BSP210 3.3 87.5 0.5
BR4 A:BSP210 3.4 57.8 0.5
BR6 A:BSP210 3.5 87.5 0.5
OH A:TYR108 3.8 19.6 1.0
CA A:GLY205 3.8 23.7 1.0
CD2 A:PHE8 3.9 26.0 1.0
C5 A:BSP210 4.0 74.8 0.5
N A:GLY205 4.1 22.0 1.0
C4 A:BSP210 4.2 75.2 0.5
CG A:PHE8 4.2 25.2 1.0
CG1 A:VAL10 4.2 15.1 1.0
CG2 A:VAL10 4.3 18.6 1.0
C3 A:BSP210 4.3 67.0 0.5
CB A:PHE8 4.3 19.7 1.0
C7 A:BSP210 4.3 71.5 0.5
CE2 A:PHE8 4.5 26.8 1.0
CZ A:TYR108 4.7 17.9 1.0
CB2 A:GSH211 4.8 27.7 0.5
C8 A:BSP210 4.8 68.5 0.5
CB A:VAL10 4.9 17.2 1.0
CE1 A:TYR108 4.9 18.3 1.0
C A:GLY205 4.9 24.7 1.0

Bromine binding site 6 out of 16 in 19gs

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Bromine binding site 6 out of 16 in the Glutathione S-Transferase P1-1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Glutathione S-Transferase P1-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br210

b:77.0
occ:0.50
BR5 A:BSP210 0.0 77.0 0.5
C5 A:BSP210 1.9 74.8 0.5
BR5 A:BSP210 2.6 65.1 0.5
C6 A:BSP210 2.9 72.0 0.5
C4 A:BSP210 2.9 75.2 0.5
SG2 A:GSH211 3.0 30.0 0.5
CB2 A:GSH211 3.1 27.7 0.5
BR6 A:BSP210 3.3 73.0 0.5
OH A:TYR108 3.4 19.6 1.0
BR6 A:BSP210 3.4 87.5 0.5
BR4 A:BSP210 3.5 87.5 0.5
O A:HOH238 3.8 17.9 1.0
OH A:TYR7 3.8 11.5 1.0
C5 A:BSP210 4.1 69.1 0.5
CZ A:TYR108 4.1 17.9 1.0
C7 A:BSP210 4.2 69.9 0.5
C3 A:BSP210 4.2 71.5 0.5
C6 A:BSP210 4.3 72.5 0.5
O A:HOH282 4.4 41.7 1.0
CA2 A:GSH211 4.4 27.1 0.5
CD2 A:PHE8 4.5 26.0 1.0
CE2 A:TYR108 4.7 17.7 1.0
CZ A:TYR7 4.7 15.0 1.0
CG2 A:VAL10 4.7 18.6 1.0
C8 A:BSP210 4.7 68.8 0.5
CE2 A:PHE8 4.8 26.8 1.0
CE1 A:TYR108 4.8 18.3 1.0

Bromine binding site 7 out of 16 in 19gs

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Bromine binding site 7 out of 16 in the Glutathione S-Transferase P1-1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Glutathione S-Transferase P1-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br210

b:57.8
occ:0.50
BR4 A:BSP210 0.0 57.8 0.5
C4 A:BSP210 1.9 65.8 0.5
C3 A:BSP210 2.9 67.0 0.5
C5 A:BSP210 3.0 69.1 0.5
C2 A:BSP210 3.4 67.0 0.5
BR5 A:BSP210 3.4 65.1 0.5
O A:HOH328 3.7 32.3 1.0
CA A:GLY205 3.7 23.7 1.0
CG1 A:VAL10 3.8 15.1 1.0
O A:GLY205 4.0 28.6 1.0
C8 A:BSP210 4.3 68.5 0.5
CB A:PHE8 4.3 19.7 1.0
C A:GLY205 4.3 24.7 1.0
C6 A:BSP210 4.3 72.5 0.5
CG A:PHE8 4.7 25.2 1.0
CD A:PRO9 4.8 17.7 1.0
O1 A:BSP210 4.8 67.9 0.5
C7 A:BSP210 4.9 71.5 0.5
N A:GLY205 4.9 22.0 1.0
CD1 A:PHE8 5.0 26.2 1.0

Bromine binding site 8 out of 16 in 19gs

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Bromine binding site 8 out of 16 in the Glutathione S-Transferase P1-1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Glutathione S-Transferase P1-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br210

b:87.5
occ:0.50
BR4 A:BSP210 0.0 87.5 0.5
BR6 A:BSP210 0.3 87.5 0.5
C6 A:BSP210 1.6 72.5 0.5
C4 A:BSP210 2.0 75.2 0.5
C7 A:BSP210 2.7 71.5 0.5
C5 A:BSP210 2.7 69.1 0.5
C3 A:BSP210 3.0 71.5 0.5
C5 A:BSP210 3.0 74.8 0.5
N3 A:GSH211 3.3 29.2 0.5
BR5 A:BSP210 3.3 65.1 0.5
BR7 A:BSP210 3.3 70.7 0.5
BR5 A:BSP210 3.5 77.0 0.5
C2 A:BSP210 3.5 68.0 0.5
CB2 A:GSH211 3.6 27.7 0.5
CA3 A:GSH211 3.9 30.4 0.5
CE2 A:PHE8 3.9 26.8 1.0
C2 A:GSH211 3.9 27.5 0.5
C8 A:BSP210 4.0 68.5 0.5
C4 A:BSP210 4.0 65.8 0.5
CA2 A:GSH211 4.1 27.1 0.5
CZ A:PHE8 4.3 25.6 1.0
C8 A:BSP210 4.3 68.8 0.5
C6 A:BSP210 4.4 72.0 0.5
CD2 A:PHE8 4.4 26.0 1.0
C3 A:BSP210 4.5 67.0 0.5
O2 A:GSH211 4.9 24.1 0.5
C7 A:BSP210 4.9 69.9 0.5
O1 A:BSP210 5.0 66.4 0.5
SG2 A:GSH211 5.0 30.0 0.5

Bromine binding site 9 out of 16 in 19gs

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Bromine binding site 9 out of 16 in the Glutathione S-Transferase P1-1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Glutathione S-Transferase P1-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br210

b:87.4
occ:0.50
BR6 B:BSP210 0.0 87.4 0.5
BR4 B:BSP210 0.3 88.3 0.5
C4 B:BSP210 1.7 75.1 0.5
C6 B:BSP210 2.0 73.3 0.5
C3 B:BSP210 2.7 71.7 0.5
C5 B:BSP210 2.8 74.7 0.5
C7 B:BSP210 3.0 72.2 0.5
C5 B:BSP210 3.0 69.8 0.5
N3 B:GSH211 3.1 30.5 0.5
C2 B:BSP210 3.2 68.3 0.5
CB2 B:GSH211 3.4 33.2 0.5
BR5 B:BSP210 3.4 77.8 0.5
BR7 B:BSP210 3.4 72.4 0.5
BR5 B:BSP210 3.5 64.5 0.5
C2 B:GSH211 3.8 30.4 0.5
CA3 B:GSH211 3.8 30.6 0.5
CA2 B:GSH211 3.9 31.6 0.5
C8 B:BSP210 4.0 69.0 0.5
CE2 B:PHE8 4.0 26.6 1.0
C6 B:BSP210 4.1 71.5 0.5
C8 B:BSP210 4.3 68.5 0.5
C4 B:BSP210 4.3 66.5 0.5
CZ B:PHE8 4.4 27.3 1.0
C7 B:BSP210 4.6 69.9 0.5
CD2 B:PHE8 4.6 27.3 1.0
O1 B:BSP210 4.6 66.4 0.5
O2 B:GSH211 4.8 28.8 0.5
SG2 B:GSH211 4.8 38.8 0.5
C3 B:BSP210 4.8 67.1 0.5

Bromine binding site 10 out of 16 in 19gs

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Bromine binding site 10 out of 16 in the Glutathione S-Transferase P1-1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Glutathione S-Transferase P1-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br210

b:71.2
occ:0.50
BR6 B:BSP210 0.0 71.2 0.5
C6 B:BSP210 2.0 71.5 0.5
SG2 B:GSH211 2.3 38.8 0.5
O B:HOH276 2.5 31.0 1.0
C7 B:BSP210 3.0 69.9 0.5
C5 B:BSP210 3.0 74.7 0.5
BR7 B:BSP210 3.4 69.2 0.5
BR5 B:BSP210 3.5 77.8 0.5
CB2 B:GSH211 3.8 33.2 0.5
CD B:ARG13 3.8 14.0 1.0
CG B:ARG13 3.9 13.6 1.0
O B:HOH281 3.9 21.8 1.0
NE B:ARG13 4.0 17.1 1.0
CD1 B:ILE104 4.0 13.4 1.0
OH B:TYR7 4.1 12.9 1.0
OE1 B:GSH211 4.2 30.1 0.5
C8 B:BSP210 4.3 69.0 0.5
C4 B:BSP210 4.3 75.1 0.5
CB B:ARG13 4.5 12.7 1.0
CA2 B:GSH211 4.6 31.6 0.5
CG1 B:ILE104 4.6 15.1 1.0
CD1 B:GSH211 4.6 29.5 0.5
N B:ARG13 4.7 14.3 1.0
CG2 B:ILE104 4.8 16.9 1.0
N2 B:GSH211 4.8 30.0 0.5
C3 B:BSP210 4.8 71.7 0.5
O B:HOH259 4.9 24.4 1.0
CE2 B:TYR108 4.9 20.0 1.0
OH B:TYR108 4.9 20.8 1.0

Reference:

A.J.Oakley, M.Lo Bello, M.Nuccetelli, A.P.Mazzetti, M.W.Parker. The Ligandin (Non-Substrate) Binding Site of Human Pi Class Glutathione Transferase Is Located in the Electrophile Binding Site (H-Site). J.Mol.Biol. V. 291 913 1999.
ISSN: ISSN 0022-2836
PubMed: 10452896
DOI: 10.1006/JMBI.1999.3029
Page generated: Sat Dec 12 01:59:31 2020

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