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Chlorine in PDB 2wrt: The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26

Enzymatic activity of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26

All present enzymatic activity of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26:
2.5.1.18;

Protein crystallography data

The structure of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26, PDB code: 2wrt was solved by K.Line, M.N.Isupov, E.J.Lacourse, P.M.Brophy, J.A.Littlechild, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 166.67 / 2.40
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 92.310, 92.501, 166.422, 90.00, 94.55, 90.00
R / Rfree (%) 20.544 / 28.102

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Chlorine atom in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26 (pdb code 2wrt). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 12 binding sites of Chlorine where determined in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26, PDB code: 2wrt:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 12 in 2wrt

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Chlorine binding site 1 out of 12 in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1219

b:64.8
occ:1.00
 NZ A:LYS188 2.9 51.7 1.0
N A:LYS188 3.3 38.8 1.0
CD A:PRO187 3.3 40.0 1.0
N A:PRO187 3.4 40.4 1.0
CG A:PRO187 3.5 41.5 1.0
CB A:PRO187 3.6 36.6 1.0
CD2 A:LEU186 3.7 34.4 1.0
C A:LEU186 3.8 39.8 1.0
CA A:PRO187 3.9 39.6 1.0
CE A:LYS188 3.9 50.1 1.0
CB A:LEU186 4.0 38.4 1.0
CB A:LYS188 4.0 39.8 1.0
CE1 A:TYR23 4.0 33.4 1.0
C A:PRO187 4.1 39.3 1.0
CD1 A:TYR23 4.2 33.7 1.0
CA A:LEU186 4.2 39.6 1.0
CA A:LYS188 4.2 38.4 1.0
O A:LEU186 4.4 42.3 1.0
CG A:LEU186 4.5 36.5 1.0
CG A:LYS188 4.5 39.7 1.0
CD A:LYS188 4.7 45.8 1.0
N A:ILE189 4.8 39.0 1.0

Chlorine binding site 2 out of 12 in 2wrt

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Chlorine binding site 2 out of 12 in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1219

b:37.3
occ:1.00
 O B:HOH2007 2.7 24.4 1.0
N B:LYS188 3.1 24.2 1.0
O H:HOH2129 3.3 36.7 1.0
CG B:LYS188 3.3 26.8 1.0
CD B:PRO187 3.4 21.7 1.0
N B:PRO187 3.5 20.3 1.0
CB B:LYS188 3.5 24.8 1.0
O H:HOH2127 3.7 31.9 1.0
CG B:PRO187 3.8 18.8 1.0
CA B:LYS188 3.9 23.3 1.0
CB B:PRO187 3.9 20.9 1.0
CE1 B:TYR23 3.9 33.4 1.0
CD1 B:TYR23 3.9 33.5 1.0
C B:LEU186 3.9 20.1 1.0
C B:PRO187 4.0 23.7 1.0
CA B:PRO187 4.0 22.4 1.0
CB B:LEU186 4.1 19.7 1.0
CA B:LEU186 4.4 19.4 1.0
CD2 B:LEU186 4.5 19.4 1.0
O B:LEU186 4.6 17.4 1.0
N B:ILE189 4.7 18.1 1.0
CD B:LYS188 4.8 36.0 1.0
C B:LYS188 4.8 21.5 1.0
CG B:LEU186 4.9 22.1 1.0
NZ B:LYS188 4.9 48.0 1.0
O B:TYR23 5.0 37.1 1.0

Chlorine binding site 3 out of 12 in 2wrt

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Chlorine binding site 3 out of 12 in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1219

b:38.6
occ:1.00
 NZ D:LYS188 2.8 48.0 1.0
N D:LYS188 3.2 21.9 1.0
CD D:PRO187 3.3 19.7 1.0
N D:PRO187 3.4 19.6 1.0
CB D:LYS188 3.6 23.9 1.0
C D:LEU186 3.7 19.9 1.0
CB D:LEU186 3.8 22.5 1.0
CE D:LYS188 3.9 53.5 1.0
CA D:LYS188 4.0 20.7 1.0
CG D:PRO187 4.1 21.3 1.0
CA D:PRO187 4.1 23.6 1.0
CA D:LEU186 4.1 22.7 1.0
CG D:LYS188 4.1 32.1 1.0
C D:PRO187 4.1 23.7 1.0
CB D:PRO187 4.1 23.0 1.0
CD1 D:TYR23 4.1 33.5 1.0
CE1 D:TYR23 4.1 33.3 1.0
O D:LEU186 4.3 19.4 1.0
CD D:LYS188 4.4 41.9 1.0
N D:ILE189 4.6 15.3 1.0
CD2 D:LEU186 4.7 19.5 1.0
CG D:LEU186 4.8 26.6 1.0
C D:LYS188 4.8 19.6 1.0

Chlorine binding site 4 out of 12 in 2wrt

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Chlorine binding site 4 out of 12 in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1220

b:55.0
occ:1.00
 N D:SER68 3.0 23.5 1.0
OG D:SER68 3.2 26.7 1.0
CB D:SER68 3.6 21.7 1.0
CD1 D:LEU13 3.7 37.7 1.0
CA D:GLN67 3.8 23.5 1.0
O D:HOH2051 3.8 31.3 1.0
O D:HOH2040 3.8 20.7 1.0
C D:GLN67 3.9 23.4 1.0
CA D:SER68 3.9 22.3 1.0
OE1 D:GLN67 4.0 25.8 1.0
CD D:PRO56 4.0 28.1 1.0
CD D:GLN67 4.4 23.7 1.0
CB D:LEU13 4.6 29.8 1.0
O D:LEU55 4.6 28.8 1.0
CG D:LEU13 4.6 31.2 1.0
N D:GLN67 4.6 22.3 1.0
CB D:GLN67 4.7 22.9 1.0
NE2 D:GLN67 4.8 22.7 1.0
CG D:PRO56 4.8 28.2 1.0
CD2 D:LEU13 4.9 34.5 1.0
N D:VAL69 5.0 23.4 1.0

Chlorine binding site 5 out of 12 in 2wrt

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Chlorine binding site 5 out of 12 in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26 within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1219

b:47.5
occ:1.00
 O E:HOH2005 2.8 40.0 1.0
NZ E:LYS188 2.9 32.0 1.0
N E:LYS188 3.2 22.2 1.0
CB E:LYS188 3.5 24.2 1.0
CD E:PRO187 3.6 23.9 1.0
N E:PRO187 3.7 25.4 1.0
CD E:LYS188 3.9 33.1 1.0
CA E:LYS188 3.9 24.6 1.0
CD1 E:TYR23 3.9 24.9 1.0
CE1 E:TYR23 3.9 19.6 1.0
CE E:LYS188 3.9 33.1 1.0
C E:LEU186 4.0 22.6 1.0
CB E:PRO187 4.1 25.9 1.0
CB E:LEU186 4.1 24.8 1.0
C E:PRO187 4.1 22.7 1.0
CA B:GLY80 4.1 37.8 1.0
CA E:PRO187 4.2 25.4 1.0
CG E:LYS188 4.3 30.9 1.0
CG E:PRO187 4.3 20.4 1.0
O E:LEU186 4.4 18.6 1.0
CA E:LEU186 4.5 23.6 1.0
N E:ILE189 4.6 23.0 1.0
CD2 E:LEU186 4.6 26.9 1.0
O E:TYR23 4.7 29.0 1.0
C E:LYS188 4.8 24.9 1.0
CG E:LEU186 4.9 27.4 1.0
N B:GLY80 5.0 38.2 1.0

Chlorine binding site 6 out of 12 in 2wrt

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Chlorine binding site 6 out of 12 in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26 within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl1219

b:59.7
occ:1.00
 CG F:LYS188 3.4 45.5 1.0
CD F:PRO187 3.4 43.0 1.0
O F:HOH2096 3.6 25.8 1.0
CE1 F:TYR23 3.7 33.4 1.0
N F:PRO187 3.8 42.1 1.0
CD1 F:TYR23 3.9 33.8 1.0
CB F:LEU186 3.9 41.5 1.0
CD2 F:LEU186 3.9 27.1 1.0
N F:LYS188 3.9 40.2 1.0
CD F:LYS188 3.9 48.7 1.0
C F:LEU186 4.1 40.8 1.0
CA F:LEU186 4.2 41.3 1.0
CG F:PRO187 4.3 43.8 1.0
CB F:LYS188 4.3 41.2 1.0
CG F:LEU186 4.4 36.4 1.0
CB F:PRO187 4.5 43.3 1.0
CA F:PRO187 4.6 41.6 1.0
CA F:LYS188 4.7 41.4 1.0
C F:PRO187 4.8 40.0 1.0
CD1 F:LEU186 4.8 35.2 1.0
O F:LEU186 4.8 39.3 1.0
CZ F:TYR23 4.9 35.3 1.0
O F:HOH2095 5.0 34.9 1.0

Chlorine binding site 7 out of 12 in 2wrt

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Chlorine binding site 7 out of 12 in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26 within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl1219

b:79.4
occ:1.00
 CG G:LYS188 3.0 50.5 1.0
N G:LYS188 3.0 49.9 1.0
O G:HOH2004 3.1 53.1 1.0
CD G:PRO187 3.2 52.0 1.0
N G:PRO187 3.4 52.2 1.0
CB G:LYS188 3.6 47.6 1.0
CB G:PRO187 3.7 53.7 1.0
CG G:PRO187 3.8 54.2 1.0
CA G:PRO187 3.8 52.5 1.0
C G:PRO187 3.9 51.5 1.0
C G:LEU186 3.9 50.6 1.0
CA G:LYS188 3.9 50.1 1.0
CB G:LEU186 4.1 46.7 1.0
CD1 G:TYR23 4.2 33.8 1.0
CE1 G:TYR23 4.3 33.4 1.0
CD G:LYS188 4.3 53.5 1.0
CA G:LEU186 4.4 48.2 1.0
O G:LEU186 4.5 49.7 1.0
N G:ILE189 4.6 49.2 1.0
C G:LYS188 4.8 50.8 1.0
CE G:LYS188 4.9 49.2 1.0

Chlorine binding site 8 out of 12 in 2wrt

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Chlorine binding site 8 out of 12 in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1219

b:40.6
occ:1.00
 O B:HOH2113 3.1 27.7 1.0
O B:HOH2097 3.2 21.6 1.0
N H:LYS188 3.2 29.6 1.0
CG H:LYS188 3.4 31.5 1.0
CB H:LYS188 3.4 28.5 1.0
CD H:PRO187 3.4 23.4 1.0
N H:PRO187 3.7 24.5 1.0
CG H:PRO187 3.8 25.6 1.0
CA H:LYS188 3.9 29.4 1.0
CB H:PRO187 4.0 24.1 1.0
CB H:LEU186 4.0 30.0 1.0
CE1 H:TYR23 4.1 33.4 1.0
C H:LEU186 4.1 24.9 1.0
CD1 H:TYR23 4.1 33.7 1.0
C H:PRO187 4.2 30.0 1.0
CA H:PRO187 4.2 26.1 1.0
O B:HOH2033 4.3 25.7 1.0
CA H:LEU186 4.4 27.7 1.0
CD2 H:LEU186 4.5 31.8 1.0
O H:LEU186 4.7 27.8 1.0
N H:ILE189 4.7 22.4 1.0
CG H:LEU186 4.8 32.9 1.0
CD H:LYS188 4.9 36.5 1.0
C H:LYS188 4.9 26.9 1.0

Chlorine binding site 9 out of 12 in 2wrt

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Chlorine binding site 9 out of 12 in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26 within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl1220

b:44.0
occ:1.00
 OG H:SER68 3.1 26.5 1.0
N H:SER68 3.2 23.5 1.0
CD1 H:LEU13 3.6 37.8 1.0
CB H:SER68 3.7 21.7 1.0
O H:HOH2068 3.8 33.0 1.0
OE1 H:GLN67 3.9 25.5 1.0
CA H:GLN67 4.0 23.6 1.0
CA H:SER68 4.1 22.5 1.0
C H:GLN67 4.1 23.3 1.0
O H:HOH2067 4.2 17.4 1.0
CD H:PRO56 4.4 28.0 1.0
CD H:GLN67 4.4 23.6 1.0
CG H:LEU13 4.4 31.0 1.0
CB H:LEU13 4.5 29.9 1.0
CD2 H:LEU13 4.6 34.6 1.0
NE2 H:GLN67 4.8 22.6 1.0
CB H:GLN67 4.8 22.9 1.0
O G:HOH2037 4.9 27.3 1.0
O H:LEU55 4.9 28.7 1.0
N H:GLN67 4.9 22.2 1.0
N H:VAL69 5.0 23.4 1.0

Chlorine binding site 10 out of 12 in 2wrt

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Chlorine binding site 10 out of 12 in the The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of The 2.4 Angstrom Structure of the Fasciola Hepatica Mu Class Gst, GST26 within 5.0Å range:
probe atom residue distance (Å) B Occ
I:Cl1219

b:78.7
occ:1.00
 N I:LYS188 3.3 39.6 1.0
N I:PRO187 3.4 37.0 1.0
CD I:PRO187 3.4 36.8 1.0
CB I:LEU186 3.7 36.3 1.0
C I:LEU186 3.7 37.6 1.0
CB I:PRO187 3.9 38.9 1.0
CD1 I:TYR23 3.9 33.7 1.0
CB I:LYS188 3.9 39.6 1.0
CG I:PRO187 4.0 37.5 1.0
CE1 I:TYR23 4.0 33.5 1.0
CA I:LEU186 4.0 37.2 1.0
CA I:PRO187 4.0 38.5 1.0
C I:PRO187 4.2 40.0 1.0
CA I:LYS188 4.2 39.4 1.0
CD I:LYS188 4.2 53.2 1.0
CG I:LYS188 4.4 48.5 1.0
CD2 I:LEU186 4.4 43.2 1.0
O I:LEU186 4.5 37.1 1.0
CG I:LEU186 4.6 40.8 1.0
N I:ILE189 4.7 36.0 1.0
O I:TYR23 4.9 37.3 1.0

Reference:

K.Line, M.N.Isupov, E.J.Lacourse, P.M.Brophy, J.A.Littlechild. The 2.5 Angstrom Structure of A Mu Class Gst From Fasciola Hepatica To Be Published.
Page generated: Fri Jul 11 01:38:16 2025

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