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Chlorine in PDB 1gse: Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K)

Enzymatic activity of Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K)

All present enzymatic activity of Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K):
2.5.1.18;

Protein crystallography data

The structure of Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K), PDB code: 1gse was solved by 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 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 100.400, 94.800, 51.800, 90.00, 92.96, 90.00
R / Rfree (%) 19.7 / 24.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K) (pdb code 1gse). 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 An Ethacrynic Acid Glutathione Conjugate (Mutant R15K), PDB code: 1gse:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1gse

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Chlorine binding site 1 out of 8 in the Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K)


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 An Ethacrynic Acid Glutathione Conjugate (Mutant R15K) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl224

b:31.7
occ:0.60
 CL1 A:EAA224 0.0 31.7 0.6
C2 A:EAA224 1.8 31.9 0.6
C6 A:EAA224 1.9 34.9 0.4
C1 A:EAA224 2.2 36.2 0.4
O2 A:EAA224 2.4 39.3 0.4
C3 A:EAA224 2.7 31.1 0.6
C1 A:EAA224 2.7 33.6 0.6
O2 A:EAA224 3.0 37.5 0.6
C5 A:EAA224 3.0 33.9 0.4
CE2 A:PHE10 3.0 38.9 1.0
CL2 A:EAA224 3.1 28.8 0.6
C2 A:EAA224 3.4 34.9 0.4
CE A:MET208 3.5 50.3 1.0
CB A:ALA216 3.5 47.0 1.0
C12 A:EAA224 3.8 41.3 0.4
CZ A:PHE10 3.8 40.5 1.0
C6 A:EAA224 4.0 32.6 0.6
CD2 A:PHE10 4.0 35.2 1.0
C4 A:EAA224 4.0 32.8 0.4
C4 A:EAA224 4.0 30.9 0.6
OXT A:EAA224 4.0 40.9 0.4
C3 A:EAA224 4.1 33.8 0.4
O A:EAA224 4.2 40.7 0.6
CB A:ALA12 4.2 20.2 1.0
CZ A:PHE222 4.3 49.3 1.0
C12 A:EAA224 4.3 40.6 0.6
C13 A:EAA224 4.4 42.4 0.4
C5 A:EAA224 4.5 31.4 0.6
CL1 A:EAA224 4.5 35.5 0.4
CG A:MET208 4.5 50.2 1.0
CD1 A:LEU213 4.7 48.8 1.0
C13 A:EAA224 4.7 42.7 0.6
SD A:MET208 4.7 54.3 1.0
CE1 A:PHE222 5.0 49.9 1.0

Chlorine binding site 2 out of 8 in 1gse

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Chlorine binding site 2 out of 8 in the Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K)


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 An Ethacrynic Acid Glutathione Conjugate (Mutant R15K) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl224

b:35.5
occ:0.40
 CL1 A:EAA224 0.0 35.5 0.4
C2 A:EAA224 1.8 34.9 0.4
C6 A:EAA224 2.3 32.6 0.6
C1 A:EAA224 2.4 33.6 0.6
O2 A:EAA224 2.5 37.5 0.6
C1 A:EAA224 2.7 36.2 0.4
C3 A:EAA224 2.7 33.8 0.4
C12 A:EAA224 3.0 40.6 0.6
O2 A:EAA224 3.0 39.3 0.4
C12 A:EAA224 3.0 41.3 0.4
CL2 A:EAA224 3.1 33.6 0.4
C5 A:EAA224 3.2 31.4 0.6
C2 A:EAA224 3.4 31.9 0.6
CG1 A:VAL111 3.5 49.3 1.0
CG A:PRO110 3.7 40.5 1.0
O A:LEU107 3.7 31.1 1.0
CE2 A:PHE222 3.9 48.5 1.0
C6 A:EAA224 4.0 34.9 0.4
CD1 A:LEU213 4.0 48.8 1.0
C4 A:EAA224 4.0 32.8 0.4
C4 A:EAA224 4.1 30.9 0.6
C3 A:EAA224 4.1 31.1 0.6
CZ A:PHE222 4.3 49.3 1.0
C13 A:EAA224 4.4 42.4 0.4
C13 A:EAA224 4.5 42.7 0.6
C5 A:EAA224 4.5 33.9 0.4
CL1 A:EAA224 4.5 31.7 0.6
CB A:PRO110 4.5 39.7 1.0
CG2 A:VAL111 4.6 49.0 1.0
CB A:VAL111 4.7 48.3 1.0
C A:LEU107 4.8 28.5 1.0
N A:VAL111 4.8 45.9 1.0
CD A:PRO110 4.9 39.6 1.0
CD1 A:LEU107 5.0 24.0 1.0

Chlorine binding site 3 out of 8 in 1gse

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Chlorine binding site 3 out of 8 in the Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K)


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 An Ethacrynic Acid Glutathione Conjugate (Mutant R15K) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl224

b:28.8
occ:0.60
 CL2 A:EAA224 0.0 28.8 0.6
C3 A:EAA224 1.8 31.1 0.6
C5 A:EAA224 1.9 33.9 0.4
C6 A:EAA224 2.6 34.9 0.4
C4 A:EAA224 2.7 32.8 0.4
C2 A:EAA224 2.7 31.9 0.6
C4 A:EAA224 2.7 30.9 0.6
C7 A:EAA224 3.0 30.7 0.6
CL1 A:EAA224 3.1 31.7 0.6
C7 A:EAA224 3.2 31.4 0.4
OH A:TYR9 3.4 12.9 1.0
C8 A:EAA224 3.4 30.5 0.6
CD2 A:PHE220 3.6 40.3 1.0
C8 A:EAA224 3.6 30.3 0.4
C3 A:EAA224 3.7 33.8 0.4
C1 A:EAA224 3.7 36.2 0.4
CE2 A:PHE220 3.8 40.5 1.0
O1 A:EAA224 3.8 28.9 0.6
CZ A:PHE222 3.9 49.3 1.0
CE1 A:PHE222 3.9 49.9 1.0
C5 A:EAA224 4.0 31.4 0.6
C1 A:EAA224 4.0 33.6 0.6
O1 A:EAA224 4.0 29.4 0.4
CD2 A:PHE10 4.1 35.2 1.0
C2 A:EAA224 4.1 34.9 0.4
CZ A:TYR9 4.1 11.5 1.0
CE2 A:PHE10 4.1 38.9 1.0
SG2 A:GSH223 4.3 22.1 1.0
CB A:ALA216 4.4 47.0 1.0
C11 A:EAA224 4.4 27.4 0.6
C11 A:EAA224 4.5 27.0 0.4
C6 A:EAA224 4.5 32.6 0.6
C9 A:EAA224 4.5 33.8 0.6
CE2 A:TYR9 4.6 13.7 1.0
CG A:PHE220 4.8 40.2 1.0
O2 A:EAA224 4.8 39.3 0.4
CB2 A:GSH223 4.9 17.5 1.0
CE1 A:TYR9 4.9 12.4 1.0
CE2 A:PHE222 4.9 48.5 1.0
CA A:GLY14 4.9 13.4 1.0
CD1 A:PHE222 4.9 49.8 1.0
C9 A:EAA224 4.9 32.2 0.4

Chlorine binding site 4 out of 8 in 1gse

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Chlorine binding site 4 out of 8 in the Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K)


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 An Ethacrynic Acid Glutathione Conjugate (Mutant R15K) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl224

b:33.6
occ:0.40
 CL2 A:EAA224 0.0 33.6 0.4
C3 A:EAA224 1.8 33.8 0.4
C5 A:EAA224 2.2 31.4 0.6
C9 A:EAA224 2.6 33.8 0.6
C2 A:EAA224 2.7 34.9 0.4
C4 A:EAA224 2.7 32.8 0.4
C6 A:EAA224 2.8 32.6 0.6
C9 A:EAA224 2.8 32.2 0.4
C4 A:EAA224 2.8 30.9 0.6
C7 A:EAA224 3.1 31.4 0.4
CL1 A:EAA224 3.1 35.5 0.4
C7 A:EAA224 3.3 30.7 0.6
CD2 A:LEU108 3.3 30.7 1.0
CE2 A:PHE222 3.4 48.5 1.0
C8 A:EAA224 3.4 30.3 0.4
C8 A:EAA224 3.5 30.5 0.6
C3 A:EAA224 3.7 31.1 0.6
C10 A:EAA224 3.7 35.6 0.6
C1 A:EAA224 3.8 33.6 0.6
O1 A:EAA224 3.8 29.4 0.4
CD2 A:PHE222 3.9 49.1 1.0
C5 A:EAA224 4.0 33.9 0.4
C1 A:EAA224 4.0 36.2 0.4
CZ A:PHE222 4.1 49.3 1.0
C10 A:EAA224 4.1 32.1 0.4
C2 A:EAA224 4.1 31.9 0.6
O1 A:EAA224 4.2 28.9 0.6
CG A:LEU107 4.3 26.5 1.0
CD2 A:LEU107 4.4 24.4 1.0
CG2 A:VAL111 4.5 49.0 1.0
C6 A:EAA224 4.5 34.9 0.4
CG1 A:VAL111 4.6 49.3 1.0
CG A:LEU108 4.6 32.7 1.0
O A:LEU107 4.7 31.1 1.0
C11 A:EAA224 4.8 27.4 0.6
C11 A:EAA224 4.8 27.0 0.4
CD1 A:LEU107 4.8 24.0 1.0
O2 A:EAA224 4.8 37.5 0.6
CA A:LEU108 4.9 32.6 1.0
CG A:PHE222 4.9 50.4 1.0

Chlorine binding site 5 out of 8 in 1gse

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Chlorine binding site 5 out of 8 in the Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K)


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 An Ethacrynic Acid Glutathione Conjugate (Mutant R15K) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl224

b:32.0
occ:0.60
 CL1 B:EAA224 0.0 32.0 0.6
C2 B:EAA224 1.8 32.9 0.6
C6 B:EAA224 2.0 35.1 0.4
C1 B:EAA224 2.5 35.5 0.4
O2 B:EAA224 2.7 39.0 0.4
C1 B:EAA224 2.7 34.1 0.6
C3 B:EAA224 2.7 31.4 0.6
O2 B:EAA224 3.0 38.1 0.6
C5 B:EAA224 3.0 34.1 0.4
CE2 B:PHE10 3.1 48.0 1.0
CL2 B:EAA224 3.2 28.1 0.6
CB B:ALA216 3.6 39.5 1.0
C2 B:EAA224 3.7 34.0 0.4
CD2 B:PHE10 3.9 46.0 1.0
C6 B:EAA224 4.0 33.4 0.6
CE B:MET208 4.0 48.9 1.0
C4 B:EAA224 4.0 31.7 0.6
CZ B:PHE10 4.1 48.7 1.0
C12 B:EAA224 4.1 40.4 0.4
C4 B:EAA224 4.1 32.8 0.4
O B:EAA224 4.1 40.5 0.6
OXT B:EAA224 4.1 41.0 0.4
CB B:ALA12 4.2 22.9 1.0
CD1 B:LEU213 4.2 46.9 1.0
CG B:MET208 4.3 48.8 1.0
C3 B:EAA224 4.3 32.6 0.4
C12 B:EAA224 4.3 39.8 0.6
CZ B:PHE222 4.4 42.3 1.0
C5 B:EAA224 4.5 31.8 0.6
C13 B:EAA224 4.6 41.3 0.4
C13 B:EAA224 4.7 41.3 0.6
CL1 B:EAA224 4.9 33.3 0.4
CB B:MET208 5.0 47.8 1.0
SD B:MET208 5.0 50.9 1.0

Chlorine binding site 6 out of 8 in 1gse

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Chlorine binding site 6 out of 8 in the Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K)


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 An Ethacrynic Acid Glutathione Conjugate (Mutant R15K) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl224

b:33.3
occ:0.40
 CL1 B:EAA224 0.0 33.3 0.4
C2 B:EAA224 1.8 34.0 0.4
C6 B:EAA224 2.1 33.4 0.6
C1 B:EAA224 2.6 34.1 0.6
C1 B:EAA224 2.7 35.5 0.4
O2 B:EAA224 2.7 38.1 0.6
C3 B:EAA224 2.7 32.6 0.4
C12 B:EAA224 3.0 39.8 0.6
O2 B:EAA224 3.0 39.0 0.4
C12 B:EAA224 3.0 40.4 0.4
CL2 B:EAA224 3.1 31.5 0.4
C5 B:EAA224 3.1 31.8 0.6
O B:LEU107 3.2 27.1 1.0
CG2 B:VAL111 3.4 41.0 1.0
CG B:PRO110 3.6 36.6 1.0
C2 B:EAA224 3.7 32.9 0.6
C6 B:EAA224 4.0 35.1 0.4
C4 B:EAA224 4.0 32.8 0.4
C4 B:EAA224 4.1 31.7 0.6
CD1 B:LEU213 4.2 46.9 1.0
C B:LEU107 4.3 25.7 1.0
C13 B:EAA224 4.3 41.3 0.4
CE2 B:PHE222 4.3 42.1 1.0
C13 B:EAA224 4.3 41.3 0.6
C3 B:EAA224 4.3 31.4 0.6
CB B:VAL111 4.4 38.7 1.0
C5 B:EAA224 4.5 34.1 0.4
CD1 B:LEU107 4.6 28.8 1.0
CB B:PRO110 4.6 37.1 1.0
CA B:LEU108 4.6 28.9 1.0
CG B:LEU107 4.7 27.9 1.0
N B:VAL111 4.7 36.8 1.0
CD B:PRO110 4.7 35.4 1.0
N B:LEU108 4.9 26.6 1.0
OXT B:EAA224 4.9 41.0 0.4
O B:EAA224 4.9 40.5 0.6
CL1 B:EAA224 4.9 32.0 0.6
CZ B:PHE222 4.9 42.3 1.0

Chlorine binding site 7 out of 8 in 1gse

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Chlorine binding site 7 out of 8 in the Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K)


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 An Ethacrynic Acid Glutathione Conjugate (Mutant R15K) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl224

b:28.1
occ:0.60
 CL2 B:EAA224 0.0 28.1 0.6
C3 B:EAA224 1.8 31.4 0.6
C5 B:EAA224 2.0 34.1 0.4
C4 B:EAA224 2.7 31.7 0.6
C2 B:EAA224 2.7 32.9 0.6
C6 B:EAA224 2.8 35.1 0.4
C4 B:EAA224 2.8 32.8 0.4
C7 B:EAA224 3.0 31.2 0.6
CL1 B:EAA224 3.2 32.0 0.6
OH B:TYR9 3.3 17.5 1.0
C7 B:EAA224 3.3 31.6 0.4
C8 B:EAA224 3.4 30.3 0.6
CD2 B:PHE220 3.7 46.6 1.0
O1 B:EAA224 3.7 30.6 0.6
C8 B:EAA224 3.7 30.1 0.4
CE2 B:PHE220 3.8 47.3 1.0
CZ B:PHE222 3.9 42.3 1.0
C1 B:EAA224 3.9 35.5 0.4
C3 B:EAA224 3.9 32.6 0.4
O1 B:EAA224 4.0 30.7 0.4
C5 B:EAA224 4.0 31.8 0.6
CZ B:TYR9 4.0 17.6 1.0
C1 B:EAA224 4.0 34.1 0.6
SG2 B:GSH223 4.1 25.0 1.0
CE1 B:PHE222 4.1 41.9 1.0
CD2 B:PHE10 4.2 46.0 1.0
C2 B:EAA224 4.3 34.0 0.4
C11 B:EAA224 4.4 27.3 0.6
C11 B:EAA224 4.4 27.5 0.4
CE2 B:PHE10 4.5 48.0 1.0
C6 B:EAA224 4.5 33.4 0.6
CE2 B:TYR9 4.5 17.0 1.0
C9 B:EAA224 4.6 32.4 0.6
CB2 B:GSH223 4.6 21.8 1.0
CB B:ALA216 4.6 39.5 1.0
CG B:PHE220 4.7 46.4 1.0
CE1 B:TYR9 4.8 17.7 1.0
CZ B:PHE220 4.8 47.8 1.0
CE2 B:PHE222 4.8 42.1 1.0
CA B:GLY14 5.0 16.9 1.0
O2 B:EAA224 5.0 39.0 0.4

Chlorine binding site 8 out of 8 in 1gse

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Chlorine binding site 8 out of 8 in the Glutathione Transferase A1-1 Complexed with An Ethacrynic Acid Glutathione Conjugate (Mutant R15K)


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 An Ethacrynic Acid Glutathione Conjugate (Mutant R15K) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl224

b:31.5
occ:0.40
 CL2 B:EAA224 0.0 31.5 0.4
C3 B:EAA224 1.8 32.6 0.4
C5 B:EAA224 2.1 31.8 0.6
C2 B:EAA224 2.7 34.0 0.4
C4 B:EAA224 2.7 32.8 0.4
C9 B:EAA224 2.8 32.4 0.6
C6 B:EAA224 2.8 33.4 0.6
C9 B:EAA224 2.8 31.6 0.4
C4 B:EAA224 2.9 31.7 0.6
C7 B:EAA224 3.1 31.6 0.4
CD2 B:LEU108 3.1 30.8 1.0
CL1 B:EAA224 3.1 33.3 0.4
C7 B:EAA224 3.3 31.2 0.6
C8 B:EAA224 3.4 30.1 0.4
C10 B:EAA224 3.5 34.7 0.6
C8 B:EAA224 3.6 30.3 0.6
O1 B:EAA224 3.8 30.7 0.4
CE2 B:PHE222 3.9 42.1 1.0
C1 B:EAA224 3.9 34.1 0.6
CG B:LEU107 3.9 27.9 1.0
C3 B:EAA224 3.9 31.4 0.6
CD2 B:LEU107 4.0 26.7 1.0
C5 B:EAA224 4.0 34.1 0.4
C1 B:EAA224 4.0 35.5 0.4
O1 B:EAA224 4.1 30.6 0.6
C10 B:EAA224 4.2 31.7 0.4
CD2 B:PHE222 4.3 43.6 1.0
CG B:LEU108 4.3 31.0 1.0
C2 B:EAA224 4.3 32.9 0.6
O B:LEU107 4.4 27.1 1.0
CD1 B:LEU107 4.5 28.8 1.0
CG2 B:VAL111 4.5 41.0 1.0
C6 B:EAA224 4.5 35.1 0.4
CZ B:PHE222 4.6 42.3 1.0
CA B:LEU108 4.7 28.9 1.0
C B:LEU107 4.8 25.7 1.0
C11 B:EAA224 4.8 27.5 0.4
C11 B:EAA224 4.8 27.3 0.6
N B:LEU108 4.9 26.6 1.0
O2 B:EAA224 5.0 38.1 0.6
CB B:LEU108 5.0 29.0 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 22:14:39 2024

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