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Bromine in PDB 1aqv: Glutathione S-Transferase in Complex with P-Bromobenzylglutathione

Enzymatic activity of Glutathione S-Transferase in Complex with P-Bromobenzylglutathione

All present enzymatic activity of Glutathione S-Transferase in Complex with P-Bromobenzylglutathione:
2.5.1.18;

Protein crystallography data

The structure of Glutathione S-Transferase in Complex with P-Bromobenzylglutathione, PDB code: 1aqv was solved by L.Prade, R.Huber, T.H.Manoharan, W.E.Fahl, W.Reuter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.00 / 1.94
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 80.660, 90.070, 69.570, 90.00, 99.19, 90.00
R / Rfree (%) 19.4 / 25.2

Bromine Binding Sites:

The binding sites of Bromine atom in the Glutathione S-Transferase in Complex with P-Bromobenzylglutathione (pdb code 1aqv). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Glutathione S-Transferase in Complex with P-Bromobenzylglutathione, PDB code: 1aqv:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1aqv

Go back to Bromine Binding Sites List in 1aqv
Bromine binding site 1 out of 2 in the Glutathione S-Transferase in Complex with P-Bromobenzylglutathione


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 in Complex with P-Bromobenzylglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br2201

b:43.9
occ:1.00
BR A:0HG2201 0.0 43.9 1.0
C4 A:0HG2201 1.9 35.0 1.0
C5 A:0HG2201 2.8 31.9 1.0
C3 A:0HG2201 2.9 34.6 1.0
CA A:GLY205 4.0 24.9 1.0
CG A:PHE8 4.0 23.9 1.0
CB A:PHE8 4.1 17.8 1.0
CG2 A:VAL35 4.1 45.9 1.0
C6 A:0HG2201 4.2 28.4 1.0
CD1 A:PHE8 4.2 23.6 1.0
C2 A:0HG2201 4.2 31.5 1.0
CD2 A:PHE8 4.5 22.6 1.0
O A:GLY205 4.6 27.8 1.0
CG1 A:VAL10 4.6 14.6 1.0
C11 A:0HG2201 4.7 30.2 1.0
C A:GLY205 4.8 25.9 1.0
CE1 A:PHE8 4.8 23.0 1.0
O A:HOH3133 4.9 57.0 1.0

Bromine binding site 2 out of 2 in 1aqv

Go back to Bromine Binding Sites List in 1aqv
Bromine binding site 2 out of 2 in the Glutathione S-Transferase in Complex with P-Bromobenzylglutathione


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 in Complex with P-Bromobenzylglutathione within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br2101

b:45.2
occ:1.00
BR B:0HG2101 0.0 45.2 1.0
C4 B:0HG2101 1.9 36.7 1.0
C5 B:0HG2101 2.8 33.9 1.0
C3 B:0HG2101 2.9 36.0 1.0
CG2 B:VAL35 3.9 39.3 1.0
CG B:PHE8 4.0 21.2 1.0
CA B:GLY205 4.0 22.4 1.0
CD1 B:PHE8 4.1 19.9 1.0
CB B:PHE8 4.1 17.3 1.0
C6 B:0HG2101 4.1 33.1 1.0
C2 B:0HG2101 4.2 33.1 1.0
O B:GLY205 4.4 26.2 1.0
CD2 B:PHE8 4.5 20.9 1.0
C B:GLY205 4.6 24.2 1.0
CE1 B:PHE8 4.7 21.2 1.0
C11 B:0HG2101 4.7 32.0 1.0
CG1 B:VAL10 4.7 13.7 1.0

Reference:

L.Prade, R.Huber, T.H.Manoharan, W.E.Fahl, W.Reuter. Structures of Class Pi Glutathione S-Transferase From Human Placenta in Complex with Substrate, Transition-State Analogue and Inhibitor. Structure V. 5 1287 1997.
ISSN: ISSN 0969-2126
PubMed: 9351803
DOI: 10.1016/S0969-2126(97)00281-5
Page generated: Wed Jul 10 16:18:35 2024

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