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Chlorine in PDB 5pzy: 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-(2-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-(5-Bromo-1,3-Thiazol-2-Yl)-3-(2-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-(5-Bromo-1,3-Thiazol-2-Yl)-3-(2-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-(5-Bromo-1,3-Thiazol-2-Yl)-3-(2-Chlorophenyl)Sulfonylurea, PDB code: 5pzy 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) 24.26 / 2.21
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 66.214, 283.778, 83.368, 90.00, 97.31, 90.00
R / Rfree (%) 17.3 / 22.8

Other elements in 5pzy:

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-(2-Chlorophenyl)Sulfonylurea also contains other interesting chemical elements:

Bromine (Br) 8 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-(5-Bromo-1,3-Thiazol-2-Yl)-3-(2-Chlorophenyl)Sulfonylurea (pdb code 5pzy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 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-(2-Chlorophenyl)Sulfonylurea, PDB code: 5pzy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 5pzy

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Chlorine binding site 1 out of 8 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-(2-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-(5-Bromo-1,3-Thiazol-2-Yl)-3-(2-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:86.8
occ:0.92
 CL20 A:94V401 0.0 86.8 0.9
C16 A:94V401 1.7 36.4 0.9
C18 A:94V401 2.7 20.2 0.9
C14 A:94V401 2.7 24.7 0.9
O13 A:94V401 2.9 42.2 0.9
S8 A:94V401 3.3 29.3 0.9
N9 A:94V401 3.7 28.8 0.9
CB A:ALA24 3.7 31.1 1.0
CA A:GLY26 3.7 29.5 1.0
C19 A:94V401 4.0 23.6 0.9
C15 A:94V401 4.0 26.5 0.9
N A:GLY26 4.0 45.5 1.0
O A:HOH603 4.1 34.2 1.0
C17 A:94V401 4.5 29.3 0.9
O A:GLY21 4.6 43.8 1.0
CA A:GLY21 4.6 33.7 1.0
O12 A:94V401 4.6 27.1 0.9
O A:ALA24 4.7 31.1 1.0
C A:ALA24 4.8 34.0 1.0
CA A:ALA24 4.9 31.4 1.0
C10 A:94V401 4.9 35.9 0.9
C A:GLY26 5.0 31.8 1.0

Chlorine binding site 2 out of 8 in 5pzy

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Chlorine binding site 2 out of 8 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-(2-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-(5-Bromo-1,3-Thiazol-2-Yl)-3-(2-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:75.8
occ:0.82
 CL20 B:94V401 0.0 75.8 0.8
C16 B:94V401 1.7 40.4 0.8
C18 B:94V401 2.7 30.0 0.8
C14 B:94V401 2.7 34.4 0.8
O13 B:94V401 2.9 43.4 0.8
S8 B:94V401 3.3 32.2 0.8
CB B:ALA24 3.6 33.9 1.0
N9 B:94V401 3.8 33.6 0.8
CA B:GLY26 3.9 36.3 1.0
C19 B:94V401 4.0 30.5 0.8
C15 B:94V401 4.0 30.4 0.8
N B:GLY26 4.2 39.1 1.0
O B:GLY21 4.5 44.1 1.0
CA B:GLY21 4.5 36.7 1.0
C17 B:94V401 4.5 30.1 0.8
O12 B:94V401 4.6 32.6 0.8
O B:ALA24 4.8 56.8 1.0
CA B:ALA24 4.8 35.6 1.0
C B:ALA24 4.8 47.8 1.0
C10 B:94V401 4.9 35.4 0.8

Chlorine binding site 3 out of 8 in 5pzy

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Chlorine binding site 3 out of 8 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-(2-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-(5-Bromo-1,3-Thiazol-2-Yl)-3-(2-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:73.3
occ:0.87
 CL20 C:94V401 0.0 73.3 0.9
C16 C:94V401 1.7 35.8 0.9
C18 C:94V401 2.6 27.2 0.9
C14 C:94V401 2.7 27.5 0.9
O13 C:94V401 2.9 38.3 0.9
S8 C:94V401 3.3 30.5 0.9
CB C:ALA24 3.5 40.5 1.0
N9 C:94V401 3.8 38.0 0.9
C19 C:94V401 3.9 33.7 0.9
C15 C:94V401 4.0 33.8 0.9
CA C:GLY26 4.1 37.4 1.0
N C:GLY26 4.2 49.9 1.0
O C:GLY21 4.3 42.1 1.0
CA C:GLY21 4.4 44.7 1.0
C17 C:94V401 4.4 37.8 0.9
O12 C:94V401 4.6 24.3 0.9
CA C:ALA24 4.7 51.1 1.0
C C:ALA24 4.8 56.7 1.0
O C:ALA24 4.8 61.5 1.0
O C:GLU20 4.8 38.1 1.0
C C:GLY21 4.9 47.2 1.0
C10 C:94V401 4.9 43.2 0.9

Chlorine binding site 4 out of 8 in 5pzy

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Chlorine binding site 4 out of 8 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-(2-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-(5-Bromo-1,3-Thiazol-2-Yl)-3-(2-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:95.1
occ:1.00
 CL20 D:94V401 0.0 95.1 1.0
C16 D:94V401 1.8 56.8 1.0
C18 D:94V401 2.7 42.1 1.0
C14 D:94V401 2.8 43.7 1.0
O13 D:94V401 2.9 39.2 1.0
S8 D:94V401 3.3 42.8 1.0
N9 D:94V401 3.7 37.1 1.0
CA D:GLY26 3.9 32.6 1.0
CB D:ALA24 3.9 33.7 1.0
C19 D:94V401 4.0 44.3 1.0
C15 D:94V401 4.0 31.4 1.0
N D:GLY26 4.1 33.1 1.0
C17 D:94V401 4.5 37.0 1.0
O12 D:94V401 4.6 42.6 1.0
CA D:GLY21 4.8 23.1 1.0
O D:GLY21 4.8 45.0 1.0
O D:HOH602 4.8 44.3 1.0
O D:ALA24 4.8 42.9 1.0
O D:HOH582 4.9 35.6 1.0
C10 D:94V401 4.9 51.0 1.0
C D:ALA24 4.9 43.2 1.0

Chlorine binding site 5 out of 8 in 5pzy

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Chlorine binding site 5 out of 8 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-(2-Chlorophenyl)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-(2-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:0.8
occ:1.00
 CL20 E:94V401 0.0 0.8 1.0
C16 E:94V401 1.7 56.1 1.0
C18 E:94V401 2.7 28.6 1.0
C14 E:94V401 2.7 36.8 1.0
O13 E:94V401 2.9 51.6 1.0
S8 E:94V401 3.3 38.2 1.0
CA E:GLY26 3.7 38.5 1.0
CB E:ALA24 3.7 41.1 1.0
N9 E:94V401 3.7 33.4 1.0
N E:GLY26 3.9 45.9 1.0
C19 E:94V401 4.0 41.2 1.0
C15 E:94V401 4.0 32.2 1.0
C17 E:94V401 4.5 40.1 1.0
O E:GLY21 4.5 40.6 1.0
O E:ALA24 4.6 47.7 1.0
CA E:GLY21 4.6 40.4 1.0
C E:ALA24 4.6 48.5 1.0
O12 E:94V401 4.6 27.9 1.0
CA E:ALA24 4.8 49.2 1.0
C10 E:94V401 4.8 42.0 1.0
C E:GLY26 4.9 39.0 1.0

Chlorine binding site 6 out of 8 in 5pzy

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Chlorine binding site 6 out of 8 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-(2-Chlorophenyl)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-(2-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl401

b:0.4
occ:0.87
 CL20 F:94V401 0.0 0.4 0.9
C16 F:94V401 1.7 76.2 0.9
C18 F:94V401 2.7 68.1 0.9
C14 F:94V401 2.7 59.6 0.9
O13 F:94V401 2.9 52.4 0.9
S8 F:94V401 3.3 49.5 0.9
CB F:ALA24 3.5 57.5 1.0
N9 F:94V401 3.7 49.0 0.9
C19 F:94V401 4.0 66.6 0.9
CA F:GLY26 4.0 46.7 1.0
C15 F:94V401 4.0 59.8 0.9
N F:GLY26 4.2 61.1 1.0
CA F:GLY21 4.3 46.0 1.0
O F:GLY21 4.3 57.0 1.0
C17 F:94V401 4.5 60.9 0.9
O F:ALA24 4.5 50.1 1.0
O12 F:94V401 4.6 49.2 0.9
CA F:ALA24 4.7 58.3 1.0
C F:ALA24 4.7 57.7 1.0
O F:GLU20 4.8 60.7 1.0
C F:GLY21 4.8 53.8 1.0
C10 F:94V401 4.9 49.7 0.9
CD2 F:LEU30 5.0 35.2 1.0

Chlorine binding site 7 out of 8 in 5pzy

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Chlorine binding site 7 out of 8 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-(2-Chlorophenyl)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-(2-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl401

b:73.1
occ:0.86
 CL20 G:94V401 0.0 73.1 0.9
C16 G:94V401 1.7 36.1 0.9
C18 G:94V401 2.7 32.8 0.9
C14 G:94V401 2.7 28.6 0.9
O13 G:94V401 2.9 31.4 0.9
S8 G:94V401 3.3 29.8 0.9
CB G:ALA24 3.5 38.2 1.0
N9 G:94V401 3.6 32.5 0.9
CA G:GLY26 3.8 33.8 1.0
N G:GLY26 3.9 42.5 1.0
C19 G:94V401 3.9 30.3 0.9
C15 G:94V401 4.0 32.0 0.9
O G:GLY21 4.3 48.0 1.0
CA G:GLY21 4.5 39.8 1.0
C17 G:94V401 4.5 28.6 0.9
O12 G:94V401 4.6 34.4 0.9
C G:ALA24 4.7 44.6 1.0
CA G:ALA24 4.7 39.9 1.0
O G:ALA24 4.8 54.6 1.0
C10 G:94V401 4.8 33.6 0.9
O G:GLU20 4.8 41.7 1.0
C G:GLY21 4.9 48.1 1.0
C G:GLY26 5.0 34.9 1.0

Chlorine binding site 8 out of 8 in 5pzy

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Chlorine binding site 8 out of 8 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-(2-Chlorophenyl)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-(2-Chlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl401

b:97.0
occ:1.00
 CL20 H:94V401 0.0 97.0 1.0
C16 H:94V401 1.7 75.5 1.0
C18 H:94V401 2.7 67.4 1.0
C14 H:94V401 2.8 58.2 1.0
O13 H:94V401 2.9 44.1 1.0
S8 H:94V401 3.3 47.2 1.0
CB H:ALA24 3.4 52.5 1.0
CA H:GLY26 3.7 42.5 1.0
N9 H:94V401 3.7 44.3 1.0
N H:GLY26 3.9 41.1 1.0
C19 H:94V401 4.0 57.5 1.0
C15 H:94V401 4.0 50.6 1.0
O H:GLY21 4.5 44.1 1.0
C17 H:94V401 4.5 52.9 1.0
O H:ALA24 4.5 58.6 1.0
C H:ALA24 4.5 53.6 1.0
CA H:ALA24 4.6 50.3 1.0
O H:HOH565 4.6 46.3 1.0
CA H:GLY21 4.6 43.5 1.0
O12 H:94V401 4.7 50.6 1.0
C H:GLY26 4.9 46.3 1.0
C10 H:94V401 5.0 51.2 1.0
O H:HOH501 5.0 42.2 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-(2-Chlorophenyl)Sulfonylurea To Be Published.
Page generated: Fri Jul 26 15:12:29 2024

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