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Bromine in PDB 2wb9: Fasciola Hepatica Sigma Class Gst

Enzymatic activity of Fasciola Hepatica Sigma Class Gst

All present enzymatic activity of Fasciola Hepatica Sigma Class Gst:
2.5.1.18;

Protein crystallography data

The structure of Fasciola Hepatica Sigma Class Gst, PDB code: 2wb9 was solved by K.Line, M.N.Isupov, 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) 64.02 / 1.59
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 56.728, 87.751, 93.781, 90.00, 90.00, 90.00
R / Rfree (%) 17.517 / 22.243

Bromine Binding Sites:

The binding sites of Bromine atom in the Fasciola Hepatica Sigma Class Gst (pdb code 2wb9). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Fasciola Hepatica Sigma Class Gst, PDB code: 2wb9:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in 2wb9

Go back to Bromine Binding Sites List in 2wb9
Bromine binding site 1 out of 5 in the Fasciola Hepatica Sigma Class Gst


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Fasciola Hepatica Sigma Class Gst within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1213

b:15.2
occ:0.50
BR A:BR1215 3.0 36.3 0.5
OG1 A:THR168 3.2 15.8 1.0
NH1 A:ARG206 3.4 21.1 1.0
NH2 A:ARG206 3.4 16.0 1.0
CE1 A:PHE164 3.5 15.5 1.0
CB A:THR168 3.7 15.2 1.0
CD1 A:PHE164 3.8 13.9 1.0
CA A:THR165 3.8 10.4 1.0
CZ A:ARG206 3.8 20.7 1.0
CG2 A:THR165 3.9 14.9 1.0
CG2 A:THR168 4.0 19.0 1.0
CB A:THR165 4.2 14.6 1.0
CG A:GLU18 4.5 17.3 1.0
N A:THR165 4.5 9.8 1.0
CD2 A:LEU203 4.6 17.4 1.0
O A:PHE164 4.6 16.0 1.0
CD1 A:LEU22 4.6 15.0 1.0
O A:THR165 4.7 13.6 1.0
CZ A:PHE164 4.7 15.3 1.0
C A:THR165 4.8 12.8 1.0
C A:PHE164 4.8 14.2 1.0
O A:HOH2031 4.9 42.0 1.0

Bromine binding site 2 out of 5 in 2wb9

Go back to Bromine Binding Sites List in 2wb9
Bromine binding site 2 out of 5 in the Fasciola Hepatica Sigma Class Gst


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Fasciola Hepatica Sigma Class Gst within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1214

b:35.4
occ:0.50
O A:HOH2202 2.3 42.0 1.0
OE1 A:GLN180 2.6 30.2 0.5
O A:HOH2194 3.1 39.8 1.0
O A:HOH2199 3.1 41.1 1.0
NZ A:LYS181 3.2 19.2 1.0
CD A:GLN180 3.3 30.3 0.5
O A:HOH2084 3.3 41.1 1.0
CG A:GLN180 3.8 15.1 0.5
CB A:GLN180 3.8 17.0 0.5
CD A:LYS181 4.0 20.5 1.0
CD1 A:PHE177 4.0 21.4 1.0
CE A:LYS181 4.1 20.6 1.0
CB A:GLN180 4.1 23.9 0.5
CA A:PHE177 4.1 18.9 1.0
O A:GLY176 4.3 22.6 1.0
NE2 A:GLN180 4.4 42.3 0.5
C A:GLY176 4.4 22.2 1.0
N A:PHE177 4.5 17.2 1.0
CG A:GLN180 4.5 22.5 0.5
CB A:PHE177 4.7 16.2 1.0
NZ A:LYS128 4.7 35.4 1.0
CG A:PHE177 4.8 21.7 1.0
CE1 A:PHE177 4.9 21.6 1.0
O A:PHE177 4.9 17.5 1.0

Bromine binding site 3 out of 5 in 2wb9

Go back to Bromine Binding Sites List in 2wb9
Bromine binding site 3 out of 5 in the Fasciola Hepatica Sigma Class Gst


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Fasciola Hepatica Sigma Class Gst within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1215

b:36.3
occ:0.50
BR A:BR1213 3.0 15.2 0.5
NH2 A:ARG14 3.2 21.4 1.0
O A:HOH2021 3.3 17.6 1.0
CD A:ARG14 3.5 17.9 1.0
CE1 A:HIS169 3.5 11.2 1.0
NE2 A:HIS169 3.8 19.5 1.0
CB A:ARG14 3.8 15.0 1.0
O A:THR165 4.0 13.6 1.0
CB A:THR165 4.0 14.6 1.0
CG A:GLU18 4.0 17.3 1.0
CG2 A:THR168 4.1 19.0 1.0
CZ A:ARG14 4.1 20.8 1.0
CB A:THR168 4.2 15.2 1.0
CA A:THR165 4.2 10.4 1.0
CG A:ARG14 4.2 12.9 1.0
ND1 A:HIS169 4.2 17.2 1.0
CB A:GLU18 4.2 14.2 1.0
NE A:ARG14 4.2 19.5 1.0
CG2 A:THR165 4.3 14.9 1.0
NH2 A:ARG206 4.4 16.0 1.0
C A:THR165 4.5 12.8 1.0
CD2 A:HIS169 4.5 12.2 1.0
NH1 A:ARG206 4.6 21.1 1.0
OG1 A:THR168 4.7 15.8 1.0
CG A:HIS169 4.8 9.4 1.0
CZ A:ARG206 4.8 20.7 1.0
CD A:GLU18 5.0 27.0 1.0

Bromine binding site 4 out of 5 in 2wb9

Go back to Bromine Binding Sites List in 2wb9
Bromine binding site 4 out of 5 in the Fasciola Hepatica Sigma Class Gst


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Fasciola Hepatica Sigma Class Gst within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1213

b:21.0
occ:0.50
OH B:TYR202 2.9 24.7 1.0
O B:HOH2250 3.0 38.3 1.0
CG B:GLU18 3.5 17.1 1.0
NH2 B:ARG206 3.5 17.0 1.0
CD B:ARG21 3.6 15.2 1.0
NH2 B:ARG21 3.6 16.3 1.0
CD B:ARG206 3.7 24.9 1.0
CZ B:TYR202 3.9 26.5 1.0
CG B:ARG14 3.9 19.4 1.0
CE2 B:TYR202 4.0 21.6 1.0
CB B:GLU18 4.1 13.7 1.0
CB B:ARG21 4.3 12.5 1.0
CA B:GLU18 4.3 10.9 1.0
CD B:GLU18 4.4 27.4 1.0
CZ B:ARG206 4.5 23.0 1.0
NE B:ARG21 4.5 12.4 1.0
CZ B:ARG21 4.5 14.2 1.0
NE B:ARG206 4.6 20.5 1.0
CG B:ARG21 4.6 12.3 1.0
CG B:ARG206 4.7 36.3 1.0
OE1 B:GLU18 4.8 45.5 1.0
CB B:ARG14 4.8 14.7 1.0
CA B:ARG14 4.8 13.3 1.0
CD B:ARG14 4.9 17.0 1.0
O B:GLU18 4.9 12.6 1.0
O B:HOH2254 5.0 50.1 1.0

Bromine binding site 5 out of 5 in 2wb9

Go back to Bromine Binding Sites List in 2wb9
Bromine binding site 5 out of 5 in the Fasciola Hepatica Sigma Class Gst


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Fasciola Hepatica Sigma Class Gst within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br1214

b:27.2
occ:0.50
O B:HOH2061 2.8 20.0 1.0
O B:HOH2025 2.8 36.5 1.0
N B:MET38 3.4 19.4 1.0
CG B:MET38 3.6 26.9 0.5
CA B:THR37 3.7 17.7 1.0
CB B:MET38 4.0 20.3 0.5
C B:THR37 4.1 17.5 1.0
CB B:MET38 4.1 22.2 0.5
CB B:THR37 4.1 20.2 1.0
CA B:MET38 4.3 17.9 0.5
CA B:MET38 4.4 18.7 0.5
CB B:GLN12 4.4 19.8 1.0
CG2 B:THR37 4.4 24.9 1.0
O B:PHE36 4.6 14.9 1.0
CE1 B:PHE13 4.7 36.3 1.0
O B:HOH2064 4.9 30.0 1.0
N B:THR37 4.9 17.4 1.0

Reference:

K.Line, M.N.Isupov, J.Lacourse, P.M.Brophy, J.A.Littlechild. The 1.6 Angstrom Crystal Structure of the Fasciola Hepatica Sigma Class Gst To Be Published.
Page generated: Wed Jul 10 18:48:31 2024

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