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Chlorine in PDB 5pzs: 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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea

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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea

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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea:
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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea, PDB code: 5pzs 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) 29.89 / 2.37
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.657, 83.267, 277.759, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 23.3

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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea (pdb code 5pzs). 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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea, PDB code: 5pzs:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5pzs

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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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea


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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:36.9
occ:1.00
 CL21 A:93Y401 0.0 36.9 1.0
C19 A:93Y401 1.7 32.6 1.0
C13 A:93Y401 2.7 27.4 1.0
C29 A:93Y401 2.7 29.0 1.0
O A:VAL17 3.6 40.8 1.0
CG1 A:VAL17 3.6 35.9 1.0
SD A:MET177 3.8 37.8 1.0
CE A:MET177 3.9 37.0 1.0
C7 A:93Y401 4.0 33.3 1.0
CA A:VAL17 4.0 29.1 1.0
C25 A:93Y401 4.0 24.1 1.0
CD1 A:LEU34 4.1 13.8 1.0
CB A:GLU20 4.1 38.6 1.0
CB A:VAL17 4.2 25.5 1.0
C A:VAL17 4.2 34.6 1.0
CG2 A:VAL17 4.2 14.9 1.0
CD2 A:LEU30 4.3 17.6 1.0
C23 A:93Y401 4.5 33.6 1.0
OG1 A:THR31 4.5 39.6 1.0
N A:GLY21 4.5 28.1 1.0
CG A:LEU30 4.7 20.8 1.0
C A:GLU20 5.0 33.0 1.0

Chlorine binding site 2 out of 4 in 5pzs

Go back to Chlorine Binding Sites List in 5pzs
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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea


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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:38.9
occ:1.00
 CL22 A:93Y401 0.0 38.9 1.0
C20 A:93Y401 1.7 31.0 1.0
C14 A:93Y401 2.7 20.9 1.0
C30 A:93Y401 2.7 31.1 1.0
CG1 C:VAL17 3.5 22.4 1.0
O C:VAL17 3.5 31.8 1.0
SD C:MET177 3.8 30.7 1.0
CE C:MET177 3.8 21.1 1.0
C8 A:93Y401 3.9 24.9 1.0
C26 A:93Y401 3.9 30.2 1.0
CB C:GLU20 4.1 37.0 1.0
CA C:VAL17 4.1 19.3 1.0
CD1 C:LEU34 4.2 28.1 1.0
CB C:VAL17 4.2 18.7 1.0
C C:VAL17 4.2 21.6 1.0
N C:GLY21 4.3 33.8 1.0
OG1 C:THR31 4.3 25.2 1.0
C24 A:93Y401 4.5 23.6 1.0
CG2 C:VAL17 4.5 20.8 1.0
CD2 C:LEU30 4.5 23.1 1.0
CG C:LEU30 4.7 19.4 1.0
CA C:GLY21 4.7 37.8 1.0
C C:GLU20 4.7 34.9 1.0
CA C:GLU20 5.0 33.2 1.0

Chlorine binding site 3 out of 4 in 5pzs

Go back to Chlorine Binding Sites List in 5pzs
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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea


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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:50.7
occ:1.00
 CL21 B:93Y401 0.0 50.7 1.0
C19 B:93Y401 1.7 48.0 1.0
C13 B:93Y401 2.7 46.8 1.0
C29 B:93Y401 2.7 41.8 1.0
O B:VAL17 3.5 23.9 1.0
CG1 B:VAL17 3.5 39.5 1.0
SD B:MET177 3.9 33.6 1.0
CE B:MET177 3.9 21.3 1.0
C7 B:93Y401 4.0 42.5 1.0
C25 B:93Y401 4.0 40.0 1.0
CA B:VAL17 4.0 20.8 1.0
CB B:GLU20 4.1 21.9 1.0
C B:VAL17 4.1 27.0 1.0
CB B:VAL17 4.2 23.4 1.0
OG1 B:THR31 4.3 21.9 1.0
CD1 B:LEU34 4.3 20.8 1.0
N B:GLY21 4.3 31.9 1.0
CD2 B:LEU30 4.4 23.7 1.0
C23 B:93Y401 4.5 40.8 1.0
CG2 B:VAL17 4.6 25.6 1.0
CG B:LEU30 4.6 23.0 1.0
C B:GLU20 4.7 34.8 1.0
CA B:GLY21 4.8 27.9 1.0
CA B:GLU20 5.0 22.6 1.0

Chlorine binding site 4 out of 4 in 5pzs

Go back to Chlorine Binding Sites List in 5pzs
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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea


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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:31.4
occ:1.00
 CL22 B:93Y401 0.0 31.4 1.0
C20 B:93Y401 1.7 28.1 1.0
C14 B:93Y401 2.7 17.0 1.0
C30 B:93Y401 2.7 27.2 1.0
CG1 D:VAL17 3.5 40.5 1.0
SD D:MET177 3.6 33.0 1.0
O D:VAL17 3.7 23.6 1.0
CE D:MET177 3.8 40.5 1.0
C8 B:93Y401 4.0 20.8 1.0
C26 B:93Y401 4.0 25.7 1.0
CA D:VAL17 4.0 24.5 1.0
CD1 D:LEU34 4.1 24.3 1.0
CB D:VAL17 4.1 27.7 1.0
CB D:GLU20 4.1 32.2 1.0
C D:VAL17 4.3 24.5 1.0
CG2 D:VAL17 4.3 26.7 1.0
CD2 D:LEU30 4.4 15.8 1.0
OG1 D:THR31 4.4 23.7 1.0
C24 B:93Y401 4.5 27.8 1.0
CG D:LEU30 4.6 16.2 1.0
N D:GLY21 4.7 30.8 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-(3-Chlorophenyl)Sulfonyl-3-[6-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Hexyl]Urea To Be Published.
Page generated: Fri Jul 26 15:11:34 2024

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