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Chlorine in PDB 5pzr: 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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]Urea, PDB code: 5pzr 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) 29.83 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.306, 83.148, 277.665, 90.00, 90.00, 90.00
R / Rfree (%) 17.8 / 21.8

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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]Urea (pdb code 5pzr). 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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]Urea, PDB code: 5pzr:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5pzr

Go back to Chlorine Binding Sites List in 5pzr
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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:30.2
occ:1.00
 CL21 A:93S401 0.0 30.2 1.0
C19 A:93S401 1.8 21.9 1.0
C34 A:93S401 2.7 20.2 1.0
C13 A:93S401 2.7 23.6 1.0
CB C:VAL17 3.6 22.3 1.0
O C:VAL17 3.7 24.6 1.0
SD C:MET177 3.7 22.9 1.0
CE C:MET177 3.8 27.6 1.0
CA C:VAL17 3.9 16.0 1.0
C7 A:93S401 4.0 16.6 1.0
C28 A:93S401 4.0 20.6 1.0
CG1 C:VAL17 4.1 23.0 1.0
CD1 C:LEU34 4.1 19.1 1.0
C C:VAL17 4.1 22.0 1.0
OG1 C:THR31 4.2 17.6 1.0
CB C:GLU20 4.2 30.7 1.0
CD2 C:LEU30 4.3 18.1 1.0
C26 A:93S401 4.5 17.6 1.0
N C:GLY21 4.6 20.8 1.0
CG C:LEU30 4.7 16.2 1.0
CG2 C:VAL17 4.8 23.2 1.0

Chlorine binding site 2 out of 4 in 5pzr

Go back to Chlorine Binding Sites List in 5pzr
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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:32.0
occ:1.00
 CL22 A:93S401 0.0 32.0 1.0
C20 A:93S401 1.8 25.1 1.0
C35 A:93S401 2.7 24.3 1.0
C14 A:93S401 2.7 21.8 1.0
SD A:MET177 3.7 26.5 1.0
CB A:VAL17 3.7 22.6 1.0
CE A:MET177 3.8 17.7 1.0
O A:VAL17 3.8 30.3 1.0
CD1 A:LEU34 3.9 17.1 1.0
CA A:VAL17 3.9 29.7 1.0
CG1 A:VAL17 3.9 22.3 1.0
C29 A:93S401 4.0 26.0 1.0
C8 A:93S401 4.0 21.6 1.0
CB A:GLU20 4.3 32.8 1.0
CD2 A:LEU30 4.3 22.2 1.0
C A:VAL17 4.3 28.2 1.0
OG1 A:THR31 4.3 18.6 1.0
C25 A:93S401 4.5 27.9 1.0
CG A:LEU30 4.6 23.2 1.0
N A:GLY21 4.8 29.2 1.0

Chlorine binding site 3 out of 4 in 5pzr

Go back to Chlorine Binding Sites List in 5pzr
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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:32.3
occ:1.00
 CL21 B:93S401 0.0 32.3 1.0
C19 B:93S401 1.7 23.6 1.0
C13 B:93S401 2.7 20.3 1.0
C34 B:93S401 2.7 22.3 1.0
O B:VAL17 3.6 21.6 1.0
CB B:VAL17 3.6 26.7 1.0
SD B:MET177 3.7 22.8 1.0
CE B:MET177 3.8 12.7 1.0
CA B:VAL17 3.9 19.0 1.0
C7 B:93S401 4.0 25.6 1.0
C28 B:93S401 4.0 25.1 1.0
CD1 B:LEU34 4.1 17.5 1.0
CG1 B:VAL17 4.1 20.8 1.0
C B:VAL17 4.1 23.9 1.0
CD2 B:LEU30 4.2 16.1 1.0
CB B:GLU20 4.3 24.7 1.0
OG1 B:THR31 4.3 22.2 1.0
C26 B:93S401 4.5 25.4 1.0
CG B:LEU30 4.5 20.4 1.0
N B:GLY21 4.6 19.5 1.0
CG2 B:VAL17 4.8 21.0 1.0

Chlorine binding site 4 out of 4 in 5pzr

Go back to Chlorine Binding Sites List in 5pzr
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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:31.1
occ:1.00
 CL22 B:93S401 0.0 31.1 1.0
C20 B:93S401 1.7 27.6 1.0
C35 B:93S401 2.7 23.8 1.0
C14 B:93S401 2.7 19.5 1.0
CB D:VAL17 3.5 14.4 1.0
O D:VAL17 3.5 28.3 1.0
CA D:VAL17 3.7 23.4 1.0
CG1 D:VAL17 3.7 16.3 1.0
SD D:MET177 3.8 23.4 1.0
CE D:MET177 3.9 28.6 1.0
C29 B:93S401 4.0 22.8 1.0
C8 B:93S401 4.0 21.9 1.0
CD1 D:LEU34 4.0 8.4 1.0
C D:VAL17 4.1 26.4 1.0
CB D:GLU20 4.3 21.1 1.0
OG1 D:THR31 4.3 16.3 1.0
CD2 D:LEU30 4.3 21.6 1.0
C25 B:93S401 4.5 25.0 1.0
CG D:LEU30 4.5 14.8 1.0
N D:GLY21 4.7 20.8 1.0
O D:HOH673 4.8 32.6 1.0
CG2 D:VAL17 4.8 18.6 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-[3-[3-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Propoxy]Propyl]Urea To Be Published.
Page generated: Fri Jul 26 15:10:57 2024

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