Atomistry » Chlorine » PDB 5pb6-5qa6 » 5pzy
Atomistry »
  Chlorine »
    PDB 5pb6-5qa6 »
      5pzy »

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

Go back to Chlorine Binding Sites List in 5pzy
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

Go back to Chlorine Binding Sites List in 5pzy
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

Go back to Chlorine Binding Sites List in 5pzy
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

Go back to Chlorine Binding Sites List in 5pzy
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

Go back to Chlorine Binding Sites List in 5pzy
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

Go back to Chlorine Binding Sites List in 5pzy
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

Go back to Chlorine Binding Sites List in 5pzy
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

Go back to Chlorine Binding Sites List in 5pzy
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: Sat Jul 12 07:16:07 2025

Last articles

Na in 7B7N
Na in 7B7H
Na in 7B4W
Na in 7B4L
Na in 7AWE
Na in 7B3U
Na in 7B3S
Na in 7B12
Na in 7B3R
Na in 7B2C
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy