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Chlorine in PDB 5pzv: 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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)Sulfonylurea, PDB code: 5pzv 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) 29.67 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.618, 83.409, 277.065, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 23.9

Other elements in 5pzv:

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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)Sulfonylurea also contains other interesting chemical elements:

Bromine (Br) 4 atoms

Chlorine 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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)Sulfonylurea (pdb code 5pzv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)Sulfonylurea, PDB code: 5pzv:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5pzv

Go back to Chlorine Binding Sites List in 5pzv
Chlorine binding site 1 out of 4 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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:57.3
occ:1.00
 CL21 A:94G401 0.0 57.3 1.0
C16 A:94G401 1.8 44.3 1.0
C19 A:94G401 2.7 39.6 1.0
C18 A:94G401 2.7 34.9 1.0
SD A:MET177 3.5 50.3 1.0
CE A:MET177 3.6 50.5 1.0
CB A:GLU20 3.6 50.7 1.0
O A:HOH676 3.8 36.4 1.0
O A:HOH602 3.8 34.1 1.0
C12 A:94G401 4.0 36.5 1.0
C13 A:94G401 4.0 34.7 1.0
C A:GLU20 4.3 32.0 1.0
O A:GLU20 4.4 29.7 1.0
N A:GLY21 4.5 27.8 1.0
C6 A:94G401 4.5 35.2 1.0
CG A:GLU20 4.6 61.9 1.0
CA A:GLU20 4.6 42.4 1.0
CG A:MET177 4.7 44.3 1.0
CB A:MET177 4.7 32.7 1.0
OE1 A:GLU20 4.9 74.9 1.0
CA A:GLY21 4.9 24.8 1.0

Chlorine binding site 2 out of 4 in 5pzv

Go back to Chlorine Binding Sites List in 5pzv
Chlorine binding site 2 out of 4 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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:71.1
occ:1.00
 CL21 B:94G401 0.0 71.1 1.0
C16 B:94G401 1.7 52.6 1.0
C18 B:94G401 2.7 43.0 1.0
C19 B:94G401 2.7 41.4 1.0
O B:HOH688 3.4 41.9 1.0
CB B:GLU20 3.4 28.4 1.0
SD B:MET177 3.8 38.2 1.0
CE B:MET177 3.9 38.5 1.0
C13 B:94G401 4.0 42.4 1.0
C12 B:94G401 4.0 38.3 1.0
O B:HOH559 4.1 38.2 1.0
C B:GLU20 4.1 35.5 1.0
O B:GLU20 4.3 32.6 1.0
CG B:GLU20 4.4 44.0 1.0
CA B:GLU20 4.4 35.0 1.0
N B:GLY21 4.4 23.5 1.0
OE1 B:GLU20 4.5 57.4 1.0
C6 B:94G401 4.5 39.5 1.0
CD2 B:LEU30 4.8 17.2 1.0
CA B:GLY21 4.9 24.9 1.0
CD B:GLU20 4.9 53.3 1.0

Chlorine binding site 3 out of 4 in 5pzv

Go back to Chlorine Binding Sites List in 5pzv
Chlorine binding site 3 out of 4 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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:59.6
occ:1.00
 CL21 C:94G401 0.0 59.6 1.0
C16 C:94G401 1.7 35.8 1.0
C19 C:94G401 2.7 33.0 1.0
C18 C:94G401 2.7 24.8 1.0
CB C:GLU20 3.4 34.5 1.0
O C:HOH656 3.6 47.4 1.0
O C:HOH685 3.6 37.1 1.0
O C:HOH749 3.6 41.6 1.0
SD C:MET177 4.0 33.4 1.0
CE C:MET177 4.0 40.4 1.0
C12 C:94G401 4.0 21.7 1.0
C13 C:94G401 4.0 32.0 1.0
O C:GLU20 4.0 34.7 1.0
C C:GLU20 4.1 31.7 1.0
OE1 C:GLU20 4.3 56.8 1.0
CG C:GLU20 4.3 45.0 1.0
CA C:GLU20 4.4 30.8 1.0
N C:GLY21 4.4 28.1 1.0
C6 C:94G401 4.5 22.5 1.0
CD C:GLU20 4.8 52.2 1.0
CA C:GLY21 4.9 30.6 1.0

Chlorine binding site 4 out of 4 in 5pzv

Go back to Chlorine Binding Sites List in 5pzv
Chlorine binding site 4 out of 4 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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:66.5
occ:1.00
 CL21 D:94G401 0.0 66.5 1.0
C16 D:94G401 1.7 52.5 1.0
C18 D:94G401 2.7 41.7 1.0
C19 D:94G401 2.7 45.0 1.0
SD D:MET177 3.5 36.3 1.0
CB D:GLU20 3.9 45.5 1.0
CE D:MET177 4.0 36.2 1.0
C13 D:94G401 4.0 30.3 1.0
C12 D:94G401 4.0 41.7 1.0
O D:HOH504 4.2 48.9 1.0
C6 D:94G401 4.5 35.9 1.0
C D:GLU20 4.5 32.8 1.0
O D:GLU20 4.5 33.0 1.0
OE1 D:GLU20 4.6 70.5 1.0
CD2 D:LEU30 4.7 16.6 1.0
CG D:GLU20 4.8 52.5 1.0
CG D:MET177 4.8 32.1 1.0
CB D:MET177 4.8 21.3 1.0
N D:GLY21 4.8 34.1 1.0
CA D:GLU20 4.9 38.9 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-(4-Bromopyridin-2-Yl)-3-(4-Chlorophenyl)Sulfonylurea To Be Published.
Page generated: Sat Jul 12 07:15:32 2025

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