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Chlorine in PDB 1gsf: Glutathione Transferase A1-1 Complexed with Ethacrynic Acid

Enzymatic activity of Glutathione Transferase A1-1 Complexed with Ethacrynic Acid

All present enzymatic activity of Glutathione Transferase A1-1 Complexed with Ethacrynic Acid:
2.5.1.18;

Protein crystallography data

The structure of Glutathione Transferase A1-1 Complexed with Ethacrynic Acid, PDB code: 1gsf was solved by G.L'hermite, I.Sinning, A.D.Cameron, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 7.50 / 2.70
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 101.800, 95.600, 105.300, 90.00, 92.20, 90.00
R / Rfree (%) 22.9 / 26.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Glutathione Transferase A1-1 Complexed with Ethacrynic Acid (pdb code 1gsf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Glutathione Transferase A1-1 Complexed with Ethacrynic Acid, PDB code: 1gsf:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1gsf

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Chlorine binding site 1 out of 8 in the Glutathione Transferase A1-1 Complexed with Ethacrynic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Glutathione Transferase A1-1 Complexed with Ethacrynic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl223

b:74.2
occ:1.00
 CL1 A:EAA223 0.0 74.2 1.0
C2 A:EAA223 1.8 74.2 1.0
C3 A:EAA223 2.7 74.2 1.0
C1 A:EAA223 2.7 74.2 1.0
O2 A:EAA223 3.0 74.2 1.0
CL2 A:EAA223 3.1 74.2 1.0
CD2 A:PHE10 3.6 58.2 1.0
CE2 A:PHE220 3.6 61.2 1.0
OH A:TYR9 3.7 24.2 1.0
CB A:PHE10 3.7 58.2 1.0
CZ A:TYR9 3.9 24.2 1.0
CD2 A:PHE220 4.0 61.2 1.0
CG A:PHE10 4.0 58.2 1.0
C6 A:EAA223 4.0 74.2 1.0
CE2 A:TYR9 4.0 24.2 1.0
C4 A:EAA223 4.0 74.2 1.0
CB A:ALA216 4.0 42.1 1.0
C12 A:EAA223 4.5 74.2 1.0
C5 A:EAA223 4.5 74.2 1.0
CE2 A:PHE10 4.5 58.2 1.0
CZ A:PHE220 4.6 61.2 1.0
CB A:ALA12 4.6 29.4 1.0
CE1 A:TYR9 4.7 24.2 1.0
CE A:MET208 4.7 62.8 1.0
CA A:GLY14 4.8 29.7 1.0
CD2 A:TYR9 4.9 24.2 1.0

Chlorine binding site 2 out of 8 in 1gsf

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Chlorine binding site 2 out of 8 in the Glutathione Transferase A1-1 Complexed with Ethacrynic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Glutathione Transferase A1-1 Complexed with Ethacrynic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl223

b:74.2
occ:1.00
 CL2 A:EAA223 0.0 74.2 1.0
C3 A:EAA223 1.8 74.2 1.0
C2 A:EAA223 2.7 74.2 1.0
C4 A:EAA223 2.7 74.2 1.0
C7 A:EAA223 3.0 74.2 1.0
CL1 A:EAA223 3.1 74.2 1.0
C11 A:EAA223 3.1 74.2 1.0
C8 A:EAA223 3.1 74.2 1.0
SD A:MET208 3.2 62.8 1.0
CE A:MET208 3.5 62.8 1.0
CA A:GLY14 3.7 29.7 1.0
O A:HOH263 3.9 44.3 1.0
O1 A:EAA223 3.9 74.2 1.0
N A:GLY14 4.0 29.7 1.0
C5 A:EAA223 4.0 74.2 1.0
C1 A:EAA223 4.0 74.2 1.0
C9 A:EAA223 4.1 74.2 1.0
C6 A:EAA223 4.5 74.2 1.0
CB A:ALA12 4.6 29.4 1.0
OH A:TYR9 4.8 24.2 1.0
CG A:MET208 4.9 62.8 1.0

Chlorine binding site 3 out of 8 in 1gsf

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Chlorine binding site 3 out of 8 in the Glutathione Transferase A1-1 Complexed with Ethacrynic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Glutathione Transferase A1-1 Complexed with Ethacrynic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl223

b:74.2
occ:1.00
 CL1 B:EAA223 0.0 74.2 1.0
C2 B:EAA223 1.8 74.2 1.0
C3 B:EAA223 2.7 74.2 1.0
C1 B:EAA223 2.7 74.2 1.0
O2 B:EAA223 3.0 74.2 1.0
CL2 B:EAA223 3.1 74.2 1.0
CD2 B:PHE10 3.6 58.2 1.0
CE2 B:PHE220 3.6 61.2 1.0
OH B:TYR9 3.7 24.2 1.0
CB B:PHE10 3.7 58.2 1.0
CZ B:TYR9 3.9 24.2 1.0
CD2 B:PHE220 4.0 61.2 1.0
CG B:PHE10 4.0 58.2 1.0
C6 B:EAA223 4.0 74.2 1.0
CE2 B:TYR9 4.0 24.2 1.0
C4 B:EAA223 4.0 74.2 1.0
CB B:ALA216 4.0 42.1 1.0
C12 B:EAA223 4.5 74.2 1.0
C5 B:EAA223 4.5 74.2 1.0
CE2 B:PHE10 4.5 58.2 1.0
CZ B:PHE220 4.6 61.2 1.0
CB B:ALA12 4.6 29.4 1.0
CE1 B:TYR9 4.6 24.2 1.0
CE B:MET208 4.7 62.8 1.0
CA B:GLY14 4.8 29.7 1.0
CD2 B:TYR9 4.9 24.2 1.0

Chlorine binding site 4 out of 8 in 1gsf

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Chlorine binding site 4 out of 8 in the Glutathione Transferase A1-1 Complexed with Ethacrynic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Glutathione Transferase A1-1 Complexed with Ethacrynic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl223

b:74.2
occ:1.00
 CL2 B:EAA223 0.0 74.2 1.0
C3 B:EAA223 1.8 74.2 1.0
C2 B:EAA223 2.7 74.2 1.0
C4 B:EAA223 2.7 74.2 1.0
C7 B:EAA223 3.0 74.2 1.0
CL1 B:EAA223 3.1 74.2 1.0
C11 B:EAA223 3.1 74.2 1.0
C8 B:EAA223 3.1 74.2 1.0
SD B:MET208 3.2 62.8 1.0
CE B:MET208 3.5 62.8 1.0
CA B:GLY14 3.7 29.7 1.0
O B:HOH268 3.9 44.3 1.0
O1 B:EAA223 3.9 74.2 1.0
N B:GLY14 4.0 29.7 1.0
C5 B:EAA223 4.0 74.2 1.0
C1 B:EAA223 4.0 74.2 1.0
C9 B:EAA223 4.1 74.2 1.0
C6 B:EAA223 4.5 74.2 1.0
CB B:ALA12 4.6 29.4 1.0
OH B:TYR9 4.8 24.2 1.0
CG B:MET208 4.9 62.8 1.0

Chlorine binding site 5 out of 8 in 1gsf

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Chlorine binding site 5 out of 8 in the Glutathione Transferase A1-1 Complexed with Ethacrynic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Glutathione Transferase A1-1 Complexed with Ethacrynic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl223

b:74.2
occ:1.00
 CL1 C:EAA223 0.0 74.2 1.0
C2 C:EAA223 1.8 74.2 1.0
C3 C:EAA223 2.7 74.2 1.0
C1 C:EAA223 2.7 74.2 1.0
O2 C:EAA223 3.0 74.2 1.0
CL2 C:EAA223 3.1 74.2 1.0
CD2 C:PHE10 3.6 58.2 1.0
CE2 C:PHE220 3.6 61.2 1.0
OH C:TYR9 3.7 24.2 1.0
CB C:PHE10 3.7 58.2 1.0
CZ C:TYR9 3.9 24.2 1.0
CD2 C:PHE220 4.0 61.2 1.0
CG C:PHE10 4.0 58.2 1.0
C6 C:EAA223 4.0 74.2 1.0
CE2 C:TYR9 4.0 24.2 1.0
C4 C:EAA223 4.0 74.2 1.0
CB C:ALA216 4.0 42.1 1.0
C12 C:EAA223 4.5 74.2 1.0
C5 C:EAA223 4.5 74.2 1.0
CE2 C:PHE10 4.5 58.2 1.0
CZ C:PHE220 4.6 61.2 1.0
CB C:ALA12 4.6 29.4 1.0
CE1 C:TYR9 4.7 24.2 1.0
CE C:MET208 4.7 62.8 1.0
CA C:GLY14 4.8 29.7 1.0
CD2 C:TYR9 4.9 24.2 1.0

Chlorine binding site 6 out of 8 in 1gsf

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Chlorine binding site 6 out of 8 in the Glutathione Transferase A1-1 Complexed with Ethacrynic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Glutathione Transferase A1-1 Complexed with Ethacrynic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl223

b:74.2
occ:1.00
 CL2 C:EAA223 0.0 74.2 1.0
C3 C:EAA223 1.8 74.2 1.0
C2 C:EAA223 2.7 74.2 1.0
C4 C:EAA223 2.7 74.2 1.0
C7 C:EAA223 3.0 74.2 1.0
CL1 C:EAA223 3.1 74.2 1.0
C11 C:EAA223 3.1 74.2 1.0
C8 C:EAA223 3.1 74.2 1.0
SD C:MET208 3.2 62.8 1.0
CE C:MET208 3.5 62.8 1.0
CA C:GLY14 3.7 29.7 1.0
O1 C:EAA223 3.9 74.2 1.0
N C:GLY14 4.0 29.7 1.0
C5 C:EAA223 4.0 74.2 1.0
C1 C:EAA223 4.0 74.2 1.0
C9 C:EAA223 4.1 74.2 1.0
C6 C:EAA223 4.5 74.2 1.0
CB C:ALA12 4.6 29.4 1.0
OH C:TYR9 4.8 24.2 1.0
CG C:MET208 4.9 62.8 1.0

Chlorine binding site 7 out of 8 in 1gsf

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Chlorine binding site 7 out of 8 in the Glutathione Transferase A1-1 Complexed with Ethacrynic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Glutathione Transferase A1-1 Complexed with Ethacrynic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl223

b:74.2
occ:1.00
 CL1 D:EAA223 0.0 74.2 1.0
C2 D:EAA223 1.8 74.2 1.0
C3 D:EAA223 2.7 74.2 1.0
C1 D:EAA223 2.7 74.2 1.0
O2 D:EAA223 3.0 74.2 1.0
CL2 D:EAA223 3.1 74.2 1.0
CD2 D:PHE10 3.6 58.2 1.0
CE2 D:PHE220 3.6 61.2 1.0
OH D:TYR9 3.7 24.2 1.0
CB D:PHE10 3.7 58.2 1.0
CZ D:TYR9 3.9 24.2 1.0
CD2 D:PHE220 4.0 61.2 1.0
CG D:PHE10 4.0 58.2 1.0
C6 D:EAA223 4.0 74.2 1.0
CE2 D:TYR9 4.0 24.2 1.0
C4 D:EAA223 4.0 74.2 1.0
CB D:ALA216 4.0 42.1 1.0
C12 D:EAA223 4.5 74.2 1.0
C5 D:EAA223 4.5 74.2 1.0
CE2 D:PHE10 4.5 58.2 1.0
CZ D:PHE220 4.6 61.2 1.0
CB D:ALA12 4.6 29.4 1.0
CE1 D:TYR9 4.6 24.2 1.0
CE D:MET208 4.7 62.8 1.0
CA D:GLY14 4.8 29.7 1.0
CD2 D:TYR9 4.9 24.2 1.0

Chlorine binding site 8 out of 8 in 1gsf

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Chlorine binding site 8 out of 8 in the Glutathione Transferase A1-1 Complexed with Ethacrynic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Glutathione Transferase A1-1 Complexed with Ethacrynic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl223

b:74.2
occ:1.00
 CL2 D:EAA223 0.0 74.2 1.0
C3 D:EAA223 1.8 74.2 1.0
C2 D:EAA223 2.7 74.2 1.0
C4 D:EAA223 2.7 74.2 1.0
C7 D:EAA223 3.0 74.2 1.0
CL1 D:EAA223 3.1 74.2 1.0
C11 D:EAA223 3.1 74.2 1.0
C8 D:EAA223 3.1 74.2 1.0
SD D:MET208 3.2 62.8 1.0
CE D:MET208 3.5 62.8 1.0
CA D:GLY14 3.7 29.7 1.0
O1 D:EAA223 3.9 74.2 1.0
N D:GLY14 4.0 29.7 1.0
C5 D:EAA223 4.0 74.2 1.0
C1 D:EAA223 4.0 74.2 1.0
C9 D:EAA223 4.1 74.2 1.0
C6 D:EAA223 4.5 74.2 1.0
CB D:ALA12 4.6 29.4 1.0
OH D:TYR9 4.8 24.2 1.0
CG D:MET208 4.9 62.8 1.0

Reference:

A.D.Cameron, I.Sinning, G.L'hermite, B.Olin, P.G.Board, B.Mannervik, T.A.Jones. Structural Analysis of Human Alpha-Class Glutathione Transferase A1-1 in the Apo-Form and in Complexes with Ethacrynic Acid and Its Glutathione Conjugate. Structure V. 3 717 1995.
ISSN: ISSN 0969-2126
PubMed: 8591048
DOI: 10.1016/S0969-2126(01)00206-4
Page generated: Fri Jul 19 22:15:28 2024

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