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

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

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

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 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 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 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 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 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 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 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 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 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 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

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