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Chlorine in PDB 5pzw: 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-[5-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Pentyl]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-[5-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Pentyl]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-[5-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Pentyl]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-[5-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Pentyl]Urea, PDB code: 5pzw 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) 29.95 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.204, 83.617, 278.817, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 23.6

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

Chlorine binding site 1 out of 4 in 5pzw

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

b:29.0
occ:0.70
 CL21 A:94J401 0.0 29.0 0.7
N2 A:AMZ402 0.8 28.5 0.3
C6 A:AMZ402 1.5 28.7 0.3
C19 A:94J401 1.7 27.8 0.7
O5 A:AMZ402 1.9 28.8 0.3
C29 A:94J401 2.7 29.6 0.7
C13 A:94J401 2.7 27.3 0.7
C3A A:AMZ402 2.9 28.1 0.3
O A:VAL17 3.5 22.5 1.0
CG1 A:VAL17 3.5 26.0 1.0
C7A A:AMZ402 3.7 28.6 0.3
N3 A:AMZ402 3.9 30.1 0.3
CB A:GLU20 3.9 33.3 1.0
SD A:MET177 4.0 31.9 1.0
C25 A:94J401 4.0 29.8 0.7
C7 A:94J401 4.0 27.8 0.7
N1 A:AMZ402 4.0 28.5 0.3
CE A:MET177 4.1 25.6 1.0
CD1 A:LEU34 4.1 20.0 1.0
CA A:VAL17 4.2 20.3 1.0
C A:VAL17 4.2 28.6 1.0
CD2 A:LEU30 4.2 27.1 1.0
N A:GLY21 4.3 28.9 1.0
CB A:VAL17 4.3 22.4 1.0
OG1 A:THR31 4.3 24.2 1.0
C24 A:94J401 4.5 29.5 0.7
CG2 A:VAL17 4.6 15.6 1.0
C A:GLU20 4.7 31.2 1.0
O A:HOH586 4.7 44.6 1.0
CG A:LEU30 4.7 24.4 1.0
CA A:GLY21 4.7 28.9 1.0
CA A:GLU20 4.9 26.9 1.0
CG A:GLU20 4.9 31.1 1.0
N A:AMZ402 5.0 29.0 0.3

Chlorine binding site 2 out of 4 in 5pzw

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

b:26.4
occ:0.70
 CL22 A:94J401 0.0 26.4 0.7
C6 A:AMZ402 1.2 24.8 0.3
N2 A:AMZ402 1.2 25.6 0.3
O5 A:AMZ402 1.4 26.1 0.3
C20 A:94J401 1.7 24.4 0.7
C3A A:AMZ402 2.6 25.0 0.3
C30 A:94J401 2.7 25.5 0.7
C14 A:94J401 2.7 24.8 0.7
C7A A:AMZ402 3.6 25.6 0.3
N1 A:AMZ402 3.6 24.3 0.3
O C:VAL17 3.7 21.3 1.0
CG1 C:VAL17 3.8 23.0 1.0
CD1 C:LEU34 3.8 9.7 1.0
CE C:MET177 3.9 16.4 1.0
SD C:MET177 3.9 21.1 1.0
N3 A:AMZ402 4.0 24.6 0.3
C26 A:94J401 4.0 26.2 0.7
C8 A:94J401 4.0 22.6 0.7
CB C:GLU20 4.0 19.0 1.0
CD2 C:LEU30 4.2 29.6 1.0
OG1 C:THR31 4.3 19.6 1.0
CA C:VAL17 4.4 20.9 1.0
N C:GLY21 4.4 19.7 1.0
C C:VAL17 4.4 20.6 1.0
CB C:VAL17 4.5 17.8 1.0
C23 A:94J401 4.5 24.8 0.7
CG C:LEU30 4.6 22.9 1.0
C5 A:AMZ402 4.7 24.4 0.3
CG2 C:VAL17 4.7 14.9 1.0
N A:AMZ402 4.7 23.6 0.3
C C:GLU20 4.8 23.1 1.0
CA C:GLY21 4.8 24.2 1.0
CG C:GLU20 5.0 28.2 1.0

Chlorine binding site 3 out of 4 in 5pzw

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

b:16.9
occ:0.50
 CL21 B:94J401 0.0 16.9 0.5
N2 D:AMZ401 1.2 21.5 0.5
C6 D:AMZ401 1.2 19.6 0.5
O5 D:AMZ401 1.5 17.6 0.5
C19 B:94J401 1.7 19.7 0.5
C3A D:AMZ401 2.6 19.4 0.5
C13 B:94J401 2.7 21.2 0.5
C29 B:94J401 2.7 18.1 0.5
C7A D:AMZ401 3.5 19.8 0.5
O B:VAL17 3.5 19.1 1.0
N1 D:AMZ401 3.7 18.5 0.5
CG1 B:VAL17 3.7 17.7 1.0
N3 D:AMZ401 3.9 15.8 0.5
CD1 B:LEU34 3.9 20.2 1.0
C7 B:94J401 4.0 18.6 0.5
C25 B:94J401 4.0 20.7 0.5
SD B:MET177 4.0 23.3 1.0
CB B:GLU20 4.1 23.3 1.0
CE B:MET177 4.2 14.8 1.0
CD2 B:LEU30 4.2 12.8 1.0
N B:GLY21 4.2 16.6 1.0
OG1 B:THR31 4.2 18.6 1.0
C B:VAL17 4.3 17.3 1.0
CA B:VAL17 4.4 19.8 1.0
C24 B:94J401 4.5 21.4 0.5
CB B:VAL17 4.5 17.3 1.0
CA B:GLY21 4.5 20.5 1.0
CG B:LEU30 4.5 18.4 1.0
C B:GLU20 4.6 21.5 1.0
CG2 B:VAL17 4.7 17.7 1.0
N D:AMZ401 4.7 19.9 0.5
C5 D:AMZ401 4.8 19.8 0.5
CA B:GLU20 5.0 21.2 1.0

Chlorine binding site 4 out of 4 in 5pzw

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

b:23.9
occ:0.50
 CL22 B:94J401 0.0 23.9 0.5
N2 D:AMZ401 0.8 18.7 0.5
C6 D:AMZ401 1.2 21.4 0.5
O5 D:AMZ401 1.7 17.4 0.5
C20 B:94J401 1.7 21.5 0.5
C3A D:AMZ401 2.5 20.6 0.5
C30 B:94J401 2.7 18.6 0.5
C14 B:94J401 2.7 20.4 0.5
C7A D:AMZ401 3.4 22.2 0.5
O D:VAL17 3.6 19.8 1.0
N3 D:AMZ401 3.6 19.4 0.5
N1 D:AMZ401 3.7 22.9 0.5
CB D:GLU20 3.8 22.2 1.0
C26 B:94J401 4.0 21.8 0.5
C8 B:94J401 4.0 23.1 0.5
CG1 D:VAL17 4.0 23.0 1.0
SD D:MET177 4.0 22.4 1.0
CD1 D:LEU34 4.1 17.4 1.0
CE D:MET177 4.1 16.2 1.0
N D:GLY21 4.2 19.5 1.0
CD2 D:LEU30 4.4 25.0 1.0
OG1 D:THR31 4.4 15.9 1.0
C D:VAL17 4.4 13.5 1.0
CA D:VAL17 4.4 18.0 1.0
C23 B:94J401 4.5 22.5 0.5
C D:GLU20 4.5 22.2 1.0
CA D:GLY21 4.6 21.2 1.0
N D:AMZ401 4.6 18.7 0.5
CB D:VAL17 4.7 22.4 1.0
C5 D:AMZ401 4.7 21.1 0.5
CG D:LEU30 4.7 26.0 1.0
CA D:GLU20 4.7 23.1 1.0
CG D:GLU20 4.8 30.8 1.0
CG2 D:VAL17 5.0 25.1 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-[5-[(3-Chlorophenyl) Sulfonylcarbamoylamino]Pentyl]Urea To Be Published.
Page generated: Fri Jul 26 15:12:13 2024

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