Chlorine in PDB 5pzz: Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
Enzymatic activity of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
All present enzymatic activity of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea:
3.1.3.11;
Protein crystallography data
The structure of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea, PDB code: 5pzz
was solved by
A.Ruf,
C.Joseph,
A.Alker,
D.Banner,
T.Tetaz,
J.Benz,
B.Kuhn,
M.G.Rudolph,
H.Yang,
C.Shao,
S.K.Burley,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
24.46 /
2.50
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
66.001,
283.850,
83.478,
90.00,
97.75,
90.00
|
R / Rfree (%)
|
18.4 /
24.9
|
Other elements in 5pzz:
The structure of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea also contains other interesting chemical elements:
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
16;
Binding sites:
The binding sites of Chlorine atom in the Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
(pdb code 5pzz). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 16 binding sites of Chlorine where determined in the
Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea, PDB code: 5pzz:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 16 in 5pzz
Go back to
Chlorine Binding Sites List in 5pzz
Chlorine binding site 1 out
of 16 in the Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl401
b:57.2
occ:1.00
|
CL20
|
A:94Y401
|
0.0
|
57.2
|
1.0
|
C12
|
A:94Y401
|
1.7
|
59.8
|
1.0
|
C10
|
A:94Y401
|
2.7
|
44.5
|
1.0
|
C15
|
A:94Y401
|
2.7
|
54.2
|
1.0
|
CL21
|
A:94Y401
|
3.2
|
78.7
|
0.0
|
CG1
|
A:VAL17
|
3.7
|
52.4
|
1.0
|
O
|
A:VAL17
|
3.7
|
41.7
|
1.0
|
SD
|
A:MET177
|
3.7
|
57.8
|
1.0
|
CE
|
A:MET177
|
3.9
|
55.2
|
1.0
|
CG2
|
A:VAL17
|
3.9
|
40.1
|
1.0
|
C18
|
A:94Y401
|
4.0
|
45.3
|
1.0
|
C8
|
A:94Y401
|
4.0
|
46.3
|
1.0
|
CA
|
A:VAL17
|
4.1
|
43.4
|
1.0
|
CD1
|
A:LEU34
|
4.1
|
37.0
|
1.0
|
CB
|
A:VAL17
|
4.1
|
42.1
|
1.0
|
OG1
|
A:THR31
|
4.2
|
49.3
|
1.0
|
CB
|
A:GLU20
|
4.3
|
44.5
|
1.0
|
C
|
A:VAL17
|
4.3
|
48.3
|
1.0
|
CD2
|
A:LEU30
|
4.3
|
41.6
|
1.0
|
N
|
A:GLY21
|
4.4
|
52.2
|
1.0
|
C17
|
A:94Y401
|
4.5
|
45.7
|
1.0
|
CG
|
A:LEU30
|
4.7
|
42.5
|
1.0
|
CA
|
A:GLY21
|
4.8
|
53.7
|
1.0
|
C
|
A:GLU20
|
4.9
|
48.2
|
1.0
|
|
Chlorine binding site 2 out
of 16 in 5pzz
Go back to
Chlorine Binding Sites List in 5pzz
Chlorine binding site 2 out
of 16 in the Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl401
b:78.7
occ:0.00
|
CL21
|
A:94Y401
|
0.0
|
78.7
|
0.0
|
C15
|
A:94Y401
|
1.7
|
54.2
|
1.0
|
C18
|
A:94Y401
|
2.7
|
45.3
|
1.0
|
C12
|
A:94Y401
|
2.7
|
59.8
|
1.0
|
CL20
|
A:94Y401
|
3.2
|
57.2
|
1.0
|
CB
|
A:GLU20
|
3.4
|
44.5
|
1.0
|
CE
|
A:MET177
|
3.6
|
55.2
|
1.0
|
SD
|
A:MET177
|
4.0
|
57.8
|
1.0
|
C17
|
A:94Y401
|
4.0
|
45.7
|
1.0
|
C10
|
A:94Y401
|
4.0
|
44.5
|
1.0
|
C
|
A:GLU20
|
4.2
|
48.2
|
1.0
|
O
|
A:GLU20
|
4.3
|
45.8
|
1.0
|
CG
|
A:GLU20
|
4.3
|
51.6
|
1.0
|
CA
|
A:GLU20
|
4.4
|
47.1
|
1.0
|
C8
|
A:94Y401
|
4.5
|
46.3
|
1.0
|
N
|
A:GLY21
|
4.5
|
52.2
|
1.0
|
OE1
|
A:GLU20
|
4.8
|
74.8
|
1.0
|
SG
|
A:CYS179
|
4.9
|
84.8
|
1.0
|
|
Chlorine binding site 3 out
of 16 in 5pzz
Go back to
Chlorine Binding Sites List in 5pzz
Chlorine binding site 3 out
of 16 in the Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl401
b:67.7
occ:1.00
|
CL20
|
B:94Y401
|
0.0
|
67.7
|
1.0
|
C12
|
B:94Y401
|
1.7
|
65.5
|
1.0
|
C10
|
B:94Y401
|
2.7
|
54.7
|
1.0
|
C15
|
B:94Y401
|
2.7
|
68.0
|
1.0
|
CL21
|
B:94Y401
|
3.2
|
86.3
|
0.0
|
CG1
|
B:VAL17
|
3.5
|
48.5
|
1.0
|
SD
|
B:MET177
|
3.6
|
53.0
|
1.0
|
O
|
B:VAL17
|
3.7
|
42.2
|
1.0
|
C8
|
B:94Y401
|
4.0
|
66.9
|
1.0
|
CD1
|
B:LEU34
|
4.0
|
48.2
|
1.0
|
CE
|
B:MET177
|
4.0
|
30.3
|
1.0
|
C18
|
B:94Y401
|
4.0
|
56.0
|
1.0
|
CG2
|
B:VAL17
|
4.1
|
44.0
|
1.0
|
CD2
|
B:LEU30
|
4.1
|
60.6
|
1.0
|
CB
|
B:VAL17
|
4.1
|
43.6
|
1.0
|
CA
|
B:VAL17
|
4.2
|
42.9
|
1.0
|
OG1
|
B:THR31
|
4.3
|
53.7
|
1.0
|
C
|
B:VAL17
|
4.4
|
47.1
|
1.0
|
C17
|
B:94Y401
|
4.5
|
60.7
|
1.0
|
N
|
B:GLY21
|
4.5
|
40.6
|
1.0
|
CG
|
B:LEU30
|
4.5
|
50.5
|
1.0
|
CB
|
B:GLU20
|
4.6
|
48.3
|
1.0
|
CA
|
B:GLY21
|
4.8
|
46.9
|
1.0
|
|
Chlorine binding site 4 out
of 16 in 5pzz
Go back to
Chlorine Binding Sites List in 5pzz
Chlorine binding site 4 out
of 16 in the Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl401
b:86.3
occ:0.00
|
CL21
|
B:94Y401
|
0.0
|
86.3
|
0.0
|
C15
|
B:94Y401
|
1.7
|
68.0
|
1.0
|
C18
|
B:94Y401
|
2.7
|
56.0
|
1.0
|
C12
|
B:94Y401
|
2.7
|
65.5
|
1.0
|
CL20
|
B:94Y401
|
3.2
|
67.7
|
1.0
|
CB
|
B:GLU20
|
3.3
|
48.3
|
1.0
|
C
|
B:GLU20
|
3.9
|
49.3
|
1.0
|
CE
|
B:MET177
|
3.9
|
30.3
|
1.0
|
C17
|
B:94Y401
|
4.0
|
60.7
|
1.0
|
SD
|
B:MET177
|
4.0
|
53.0
|
1.0
|
O
|
B:GLU20
|
4.0
|
46.7
|
1.0
|
C10
|
B:94Y401
|
4.0
|
54.7
|
1.0
|
O
|
B:HOH506
|
4.2
|
48.2
|
1.0
|
N
|
B:GLY21
|
4.2
|
40.6
|
1.0
|
CA
|
B:GLU20
|
4.3
|
54.0
|
1.0
|
CG
|
B:GLU20
|
4.3
|
58.0
|
1.0
|
C8
|
B:94Y401
|
4.5
|
66.9
|
1.0
|
CA
|
B:GLY21
|
4.7
|
46.9
|
1.0
|
OE1
|
B:GLU20
|
4.7
|
75.1
|
1.0
|
|
Chlorine binding site 5 out
of 16 in 5pzz
Go back to
Chlorine Binding Sites List in 5pzz
Chlorine binding site 5 out
of 16 in the Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl401
b:61.6
occ:1.00
|
CL20
|
C:94Y401
|
0.0
|
61.6
|
1.0
|
C12
|
C:94Y401
|
1.7
|
58.2
|
1.0
|
C10
|
C:94Y401
|
2.7
|
53.8
|
1.0
|
C15
|
C:94Y401
|
2.7
|
69.5
|
1.0
|
CL21
|
C:94Y401
|
3.2
|
90.8
|
0.0
|
O
|
C:VAL17
|
3.7
|
45.7
|
1.0
|
CG1
|
C:VAL17
|
3.7
|
44.8
|
1.0
|
SD
|
C:MET177
|
4.0
|
70.7
|
1.0
|
C8
|
C:94Y401
|
4.0
|
51.4
|
1.0
|
C18
|
C:94Y401
|
4.0
|
69.0
|
1.0
|
OG1
|
C:THR31
|
4.0
|
31.2
|
1.0
|
CD2
|
C:LEU30
|
4.1
|
44.9
|
1.0
|
CD1
|
C:LEU34
|
4.2
|
22.4
|
1.0
|
CE
|
C:MET177
|
4.2
|
70.4
|
1.0
|
CA
|
C:VAL17
|
4.2
|
45.1
|
1.0
|
CB
|
C:VAL17
|
4.3
|
40.2
|
1.0
|
CG2
|
C:VAL17
|
4.3
|
51.6
|
1.0
|
N
|
C:GLY21
|
4.3
|
56.9
|
1.0
|
C
|
C:VAL17
|
4.4
|
48.9
|
1.0
|
CB
|
C:GLU20
|
4.4
|
69.7
|
1.0
|
C17
|
C:94Y401
|
4.5
|
58.3
|
1.0
|
CG
|
C:LEU30
|
4.6
|
44.3
|
1.0
|
CA
|
C:GLY21
|
4.6
|
60.9
|
1.0
|
C
|
C:GLU20
|
4.8
|
57.3
|
1.0
|
|
Chlorine binding site 6 out
of 16 in 5pzz
Go back to
Chlorine Binding Sites List in 5pzz
Chlorine binding site 6 out
of 16 in the Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl401
b:90.8
occ:0.00
|
CL21
|
C:94Y401
|
0.0
|
90.8
|
0.0
|
C15
|
C:94Y401
|
1.7
|
69.5
|
1.0
|
C18
|
C:94Y401
|
2.7
|
69.0
|
1.0
|
C12
|
C:94Y401
|
2.7
|
58.2
|
1.0
|
CL20
|
C:94Y401
|
3.2
|
61.6
|
1.0
|
CB
|
C:GLU20
|
3.5
|
69.7
|
1.0
|
CE
|
C:MET177
|
3.9
|
70.4
|
1.0
|
C17
|
C:94Y401
|
4.0
|
58.3
|
1.0
|
C10
|
C:94Y401
|
4.0
|
53.8
|
1.0
|
C
|
C:GLU20
|
4.0
|
57.3
|
1.0
|
O
|
C:GLU20
|
4.0
|
49.4
|
1.0
|
SD
|
C:MET177
|
4.2
|
70.7
|
1.0
|
CA
|
C:GLU20
|
4.4
|
66.5
|
1.0
|
N
|
C:GLY21
|
4.4
|
56.9
|
1.0
|
C8
|
C:94Y401
|
4.5
|
51.4
|
1.0
|
CG
|
C:GLU20
|
4.6
|
79.8
|
1.0
|
OE1
|
C:GLU20
|
4.8
|
71.2
|
1.0
|
CA
|
C:GLY21
|
4.8
|
60.9
|
1.0
|
|
Chlorine binding site 7 out
of 16 in 5pzz
Go back to
Chlorine Binding Sites List in 5pzz
Chlorine binding site 7 out
of 16 in the Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl401
b:54.9
occ:1.00
|
CL20
|
D:94Y401
|
0.0
|
54.9
|
1.0
|
C12
|
D:94Y401
|
1.7
|
59.1
|
1.0
|
C10
|
D:94Y401
|
2.7
|
54.2
|
1.0
|
C15
|
D:94Y401
|
2.7
|
67.5
|
1.0
|
CL21
|
D:94Y401
|
3.2
|
91.2
|
0.0
|
O
|
D:VAL17
|
3.6
|
39.7
|
1.0
|
CG1
|
D:VAL17
|
3.7
|
58.1
|
1.0
|
SD
|
D:MET177
|
3.9
|
60.6
|
1.0
|
C8
|
D:94Y401
|
3.9
|
54.6
|
1.0
|
CE
|
D:MET177
|
4.0
|
60.7
|
1.0
|
C18
|
D:94Y401
|
4.0
|
65.4
|
1.0
|
OG1
|
D:THR31
|
4.1
|
45.1
|
1.0
|
CG2
|
D:VAL17
|
4.1
|
47.1
|
1.0
|
CA
|
D:VAL17
|
4.1
|
41.2
|
1.0
|
CB
|
D:VAL17
|
4.2
|
45.7
|
1.0
|
CD1
|
D:LEU34
|
4.2
|
33.6
|
1.0
|
CB
|
D:GLU20
|
4.2
|
71.5
|
1.0
|
C
|
D:VAL17
|
4.3
|
49.4
|
1.0
|
CD2
|
D:LEU30
|
4.3
|
37.5
|
1.0
|
N
|
D:GLY21
|
4.4
|
56.5
|
1.0
|
C17
|
D:94Y401
|
4.5
|
49.1
|
1.0
|
CG
|
D:LEU30
|
4.7
|
39.6
|
1.0
|
CA
|
D:GLY21
|
4.8
|
49.1
|
1.0
|
C
|
D:GLU20
|
4.8
|
59.3
|
1.0
|
|
Chlorine binding site 8 out
of 16 in 5pzz
Go back to
Chlorine Binding Sites List in 5pzz
Chlorine binding site 8 out
of 16 in the Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl401
b:91.2
occ:0.00
|
CL21
|
D:94Y401
|
0.0
|
91.2
|
0.0
|
C15
|
D:94Y401
|
1.7
|
67.5
|
1.0
|
C18
|
D:94Y401
|
2.7
|
65.4
|
1.0
|
C12
|
D:94Y401
|
2.7
|
59.1
|
1.0
|
CL20
|
D:94Y401
|
3.2
|
54.9
|
1.0
|
CB
|
D:GLU20
|
3.3
|
71.5
|
1.0
|
CE
|
D:MET177
|
3.7
|
60.7
|
1.0
|
O
|
D:GLU20
|
3.9
|
62.4
|
1.0
|
C
|
D:GLU20
|
3.9
|
59.3
|
1.0
|
C17
|
D:94Y401
|
4.0
|
49.1
|
1.0
|
C10
|
D:94Y401
|
4.0
|
54.2
|
1.0
|
OE1
|
D:GLU20
|
4.1
|
85.3
|
1.0
|
SD
|
D:MET177
|
4.2
|
60.6
|
1.0
|
CA
|
D:GLU20
|
4.2
|
57.2
|
1.0
|
CG
|
D:GLU20
|
4.3
|
79.5
|
1.0
|
N
|
D:GLY21
|
4.4
|
56.5
|
1.0
|
C8
|
D:94Y401
|
4.5
|
54.6
|
1.0
|
CD
|
D:GLU20
|
4.7
|
84.7
|
1.0
|
CA
|
D:GLY21
|
4.9
|
49.1
|
1.0
|
|
Chlorine binding site 9 out
of 16 in 5pzz
Go back to
Chlorine Binding Sites List in 5pzz
Chlorine binding site 9 out
of 16 in the Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl401
b:67.7
occ:1.00
|
CL20
|
E:94Y401
|
0.0
|
67.7
|
1.0
|
C12
|
E:94Y401
|
1.7
|
66.8
|
1.0
|
C10
|
E:94Y401
|
2.7
|
59.3
|
1.0
|
C15
|
E:94Y401
|
2.7
|
64.5
|
1.0
|
CL21
|
E:94Y401
|
3.2
|
90.8
|
0.0
|
O
|
E:VAL17
|
3.6
|
55.5
|
1.0
|
CG1
|
E:VAL17
|
3.6
|
49.9
|
1.0
|
C8
|
E:94Y401
|
4.0
|
51.4
|
1.0
|
SD
|
E:MET177
|
4.0
|
76.1
|
1.0
|
C18
|
E:94Y401
|
4.0
|
56.9
|
1.0
|
CE
|
E:MET177
|
4.0
|
75.3
|
1.0
|
OG1
|
E:THR31
|
4.1
|
46.1
|
1.0
|
CA
|
E:VAL17
|
4.1
|
55.5
|
1.0
|
CD1
|
E:LEU34
|
4.2
|
55.4
|
1.0
|
CB
|
E:VAL17
|
4.2
|
47.4
|
1.0
|
CG2
|
E:VAL17
|
4.3
|
44.5
|
1.0
|
C
|
E:VAL17
|
4.3
|
55.0
|
1.0
|
N
|
E:GLY21
|
4.3
|
68.8
|
1.0
|
CD2
|
E:LEU30
|
4.3
|
62.6
|
1.0
|
C17
|
E:94Y401
|
4.5
|
55.9
|
1.0
|
CB
|
E:GLU20
|
4.5
|
82.8
|
1.0
|
CA
|
E:GLY21
|
4.6
|
56.9
|
1.0
|
CG
|
E:LEU30
|
4.8
|
60.9
|
1.0
|
C
|
E:GLU20
|
4.8
|
76.9
|
1.0
|
|
Chlorine binding site 10 out
of 16 in 5pzz
Go back to
Chlorine Binding Sites List in 5pzz
Chlorine binding site 10 out
of 16 in the Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Cl401
b:90.8
occ:0.00
|
CL21
|
E:94Y401
|
0.0
|
90.8
|
0.0
|
C15
|
E:94Y401
|
1.7
|
64.5
|
1.0
|
C18
|
E:94Y401
|
2.7
|
56.9
|
1.0
|
C12
|
E:94Y401
|
2.7
|
66.8
|
1.0
|
CL20
|
E:94Y401
|
3.2
|
67.7
|
1.0
|
CB
|
E:GLU20
|
3.5
|
82.8
|
1.0
|
CE
|
E:MET177
|
3.7
|
75.3
|
1.0
|
C17
|
E:94Y401
|
4.0
|
55.9
|
1.0
|
SD
|
E:MET177
|
4.0
|
76.1
|
1.0
|
C10
|
E:94Y401
|
4.0
|
59.3
|
1.0
|
O
|
E:GLU20
|
4.0
|
76.2
|
1.0
|
C
|
E:GLU20
|
4.0
|
76.9
|
1.0
|
CA
|
E:GLU20
|
4.4
|
81.1
|
1.0
|
N
|
E:GLY21
|
4.4
|
68.8
|
1.0
|
C8
|
E:94Y401
|
4.5
|
51.4
|
1.0
|
CG
|
E:GLU20
|
4.6
|
93.3
|
1.0
|
CA
|
E:GLY21
|
4.9
|
56.9
|
1.0
|
OE1
|
E:GLU20
|
4.9
|
0.5
|
1.0
|
|
Reference:
A.Ruf,
C.Joseph,
A.Alker,
D.Banner,
T.Tetaz,
J.Benz,
B.Kuhn,
M.G.Rudolph.
Human Liver Fructose-1,6-Bisphosphatase 1 (Fructose 1,6-Bisphosphate 1-Phosphatase, E.C.3.1.3.11) Complexed with the Allosteric Inhibitor 1-(5-Bromo-1,3-Thiazol-2-Yl)-3-(3,4-Dichlorophenyl) Sulfonylurea To Be Published.
Page generated: Fri Jul 26 15:12:30 2024
|