Atomistry » Bromine » PDB 5o62-5q0c » 5pzz
Atomistry »
  Bromine »
    PDB 5o62-5q0c »
      5pzz »

Bromine in PDB 5pzz: 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-(3,4-Dichlorophenyl)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-(3,4-Dichlorophenyl)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-(3,4-Dichlorophenyl)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-(3,4-Dichlorophenyl)Sulfonylurea, PDB code: 5pzz 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) 24.46 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 66.001, 283.850, 83.478, 90.00, 97.75, 90.00
R / Rfree (%) 18.4 / 24.9

Other elements in 5pzz:

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-(3,4-Dichlorophenyl)Sulfonylurea also contains other interesting chemical elements:

Chlorine (Cl) 16 atoms

Bromine Binding Sites:

The binding sites of Bromine 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-(3,4-Dichlorophenyl)Sulfonylurea (pdb code 5pzz). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 8 binding sites of Bromine 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-(3,4-Dichlorophenyl)Sulfonylurea, PDB code: 5pzz:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Bromine binding site 1 out of 8 in 5pzz

Go back to Bromine Binding Sites List in 5pzz
Bromine 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-(3,4-Dichlorophenyl)Sulfonylurea


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:74.6
occ:0.75
 BR1 A:94Y401 0.0 74.6 0.8
C9 A:94Y401 1.9 76.0 1.0
C11 A:94Y401 2.9 72.2 1.0
S4 A:94Y401 3.1 63.1 1.0
CG A:MET18 3.7 42.4 1.0
CA C:GLY28 3.8 36.3 1.0
O C:GLY28 3.9 58.6 1.0
CG2 C:THR31 4.0 29.1 1.0
CB A:MET18 4.0 40.9 1.0
S4 C:94Y401 4.0 61.5 1.0
N7 A:94Y401 4.1 68.9 1.0
SD A:MET18 4.1 55.7 1.0
C9 C:94Y401 4.2 70.8 1.0
C2 A:94Y401 4.2 70.5 1.0
C C:GLY28 4.2 39.9 1.0
CD A:ARG22 4.3 59.4 1.0
CG A:ARG22 4.4 59.7 1.0
CB C:THR31 4.5 35.9 1.0
CG C:GLN32 4.5 30.6 1.0
BR1 C:94Y401 4.6 66.1 0.7
CA A:MET18 4.7 47.2 1.0
O A:MET18 4.7 51.2 1.0
C2 C:94Y401 4.7 65.3 1.0
O C:THR27 4.7 45.8 1.0
C11 C:94Y401 4.8 66.3 1.0
O16 C:94Y401 4.8 58.2 1.0
CD C:GLN32 4.9 49.6 1.0
CE A:MET18 4.9 66.4 1.0
N C:GLY28 5.0 44.4 1.0

Bromine binding site 2 out of 8 in 5pzz

Go back to Bromine Binding Sites List in 5pzz
Bromine 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-(3,4-Dichlorophenyl)Sulfonylurea


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br401

b:78.5
occ:0.65
 BR1 B:94Y401 0.0 78.5 0.7
C9 B:94Y401 1.9 77.2 1.0
C11 B:94Y401 2.9 79.5 1.0
S4 B:94Y401 3.1 70.9 1.0
CG B:MET18 3.6 36.0 1.0
CB B:MET18 3.7 40.0 1.0
CA D:GLY28 3.8 35.7 1.0
O D:GLY28 3.8 54.1 1.0
SD B:MET18 3.9 58.3 1.0
N7 B:94Y401 4.1 70.5 1.0
S4 D:94Y401 4.2 60.1 1.0
CG2 D:THR31 4.2 42.9 1.0
C9 D:94Y401 4.2 70.4 1.0
C2 B:94Y401 4.2 76.5 1.0
CD B:ARG22 4.2 55.2 1.0
C D:GLY28 4.3 41.2 1.0
CG B:ARG22 4.3 52.6 1.0
O B:MET18 4.4 54.8 1.0
CA B:MET18 4.4 44.6 1.0
CG D:GLN32 4.5 36.1 1.0
CB D:THR31 4.5 45.5 1.0
BR1 D:94Y401 4.6 74.5 0.7
C11 D:94Y401 4.7 68.9 1.0
C2 D:94Y401 4.7 67.3 1.0
O16 D:94Y401 4.8 56.6 1.0
C B:MET18 4.8 50.9 1.0
CE B:MET18 4.9 71.9 1.0
O D:THR27 5.0 71.2 1.0
N D:GLN32 5.0 43.0 1.0
N7 D:94Y401 5.0 64.4 1.0

Bromine binding site 3 out of 8 in 5pzz

Go back to Bromine Binding Sites List in 5pzz
Bromine 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-(3,4-Dichlorophenyl)Sulfonylurea


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br401

b:66.1
occ:0.66
 BR1 C:94Y401 0.0 66.1 0.7
C9 C:94Y401 1.9 70.8 1.0
C11 C:94Y401 2.9 66.3 1.0
S4 C:94Y401 3.1 61.5 1.0
CG C:MET18 3.5 41.1 1.0
CB C:MET18 3.8 40.5 1.0
SD C:MET18 3.9 57.2 1.0
O A:GLY28 3.9 50.9 1.0
CA A:GLY28 3.9 53.8 1.0
S4 A:94Y401 4.0 63.1 1.0
N7 C:94Y401 4.1 61.3 1.0
CG2 A:THR31 4.2 41.7 1.0
C2 C:94Y401 4.2 65.3 1.0
C9 A:94Y401 4.2 76.0 1.0
CD C:ARG22 4.3 62.6 1.0
CG C:ARG22 4.4 51.7 1.0
CG A:GLN32 4.4 35.7 1.0
C A:GLY28 4.4 42.2 1.0
CA C:MET18 4.5 41.0 1.0
CE C:MET18 4.6 58.5 1.0
CB A:THR31 4.6 43.6 1.0
BR1 A:94Y401 4.6 74.6 0.8
C2 A:94Y401 4.7 70.5 1.0
O C:MET18 4.7 56.4 1.0
O16 A:94Y401 4.8 62.1 1.0
CD A:GLN32 4.8 52.6 1.0
C11 A:94Y401 4.9 72.2 1.0

Bromine binding site 4 out of 8 in 5pzz

Go back to Bromine Binding Sites List in 5pzz
Bromine 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-(3,4-Dichlorophenyl)Sulfonylurea


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br401

b:74.5
occ:0.71
 BR1 D:94Y401 0.0 74.5 0.7
C9 D:94Y401 1.9 70.4 1.0
C11 D:94Y401 2.9 68.9 1.0
S4 D:94Y401 3.1 60.1 1.0
CG D:MET18 3.7 41.0 1.0
CA B:GLY28 3.7 54.9 1.0
CG2 B:THR31 3.8 45.5 1.0
CB D:MET18 3.9 37.5 1.0
SD D:MET18 3.9 59.3 1.0
S4 B:94Y401 3.9 70.9 1.0
O B:GLY28 4.0 52.1 1.0
N7 D:94Y401 4.1 64.4 1.0
C9 B:94Y401 4.2 77.2 1.0
C2 D:94Y401 4.2 67.3 1.0
C B:GLY28 4.3 51.2 1.0
CB B:THR31 4.3 42.1 1.0
CD D:ARG22 4.5 61.4 1.0
CG B:GLN32 4.5 55.0 1.0
BR1 B:94Y401 4.6 78.5 0.7
CA D:MET18 4.6 39.7 1.0
CG D:ARG22 4.6 58.8 1.0
C2 B:94Y401 4.6 76.5 1.0
CE D:MET18 4.7 64.1 1.0
C11 B:94Y401 4.8 79.5 1.0
CD B:GLN32 4.8 62.4 1.0
O16 B:94Y401 4.8 68.4 1.0
O D:MET18 4.9 51.7 1.0
O B:THR27 4.9 58.9 1.0
N B:GLY28 5.0 61.0 1.0

Bromine binding site 5 out of 8 in 5pzz

Go back to Bromine Binding Sites List in 5pzz
Bromine 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-(3,4-Dichlorophenyl)Sulfonylurea


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br401

b:78.7
occ:0.78
 BR1 E:94Y401 0.0 78.7 0.8
C9 E:94Y401 1.9 77.8 1.0
C11 E:94Y401 2.9 74.0 1.0
S4 E:94Y401 3.1 66.8 1.0
O G:GLY28 3.7 49.5 1.0
CG E:MET18 3.7 44.7 1.0
CG2 G:THR31 3.8 31.8 1.0
CA G:GLY28 3.9 52.0 1.0
CB E:MET18 4.0 58.0 1.0
SD E:MET18 4.0 66.8 1.0
S4 G:94Y401 4.0 71.5 1.0
N7 E:94Y401 4.1 75.5 1.0
C2 E:94Y401 4.2 73.9 1.0
C G:GLY28 4.3 51.4 1.0
C9 G:94Y401 4.3 76.6 1.0
CD E:ARG22 4.3 80.2 1.0
CG E:ARG22 4.3 73.4 1.0
CB G:THR31 4.4 54.1 1.0
CG G:GLN32 4.4 60.4 1.0
C2 G:94Y401 4.6 70.7 1.0
CA E:MET18 4.7 68.2 1.0
CD G:GLN32 4.7 76.0 1.0
O16 G:94Y401 4.7 49.1 1.0
C11 G:94Y401 4.8 66.2 1.0
O E:MET18 4.8 53.9 1.0
CE E:MET18 4.8 65.6 1.0
BR1 G:94Y401 4.8 66.1 0.6
N7 G:94Y401 4.9 63.0 1.0
N G:GLN32 5.0 46.8 1.0

Bromine binding site 6 out of 8 in 5pzz

Go back to Bromine Binding Sites List in 5pzz
Bromine 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-(3,4-Dichlorophenyl)Sulfonylurea


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Br401

b:94.0
occ:0.70
 BR1 F:94Y401 0.0 94.0 0.7
C9 F:94Y401 1.9 98.1 1.0
C11 F:94Y401 2.9 97.9 1.0
S4 F:94Y401 3.1 91.1 1.0
CG F:MET18 3.6 52.1 1.0
O H:GLY28 3.7 77.6 1.0
CB F:MET18 3.8 44.7 1.0
S4 H:94Y401 3.8 87.0 1.0
CA H:GLY28 3.9 73.5 1.0
SD F:MET18 4.0 71.2 1.0
CG2 H:THR31 4.0 49.9 1.0
CD F:ARG22 4.1 80.5 1.0
N7 F:94Y401 4.1 95.2 1.0
CG F:ARG22 4.2 72.9 1.0
C2 F:94Y401 4.2 95.4 1.0
C H:GLY28 4.2 70.1 1.0
C9 H:94Y401 4.3 88.1 1.0
CG H:GLN32 4.3 66.1 1.0
CA F:MET18 4.4 59.2 1.0
BR1 H:94Y401 4.5 84.2 0.6
O F:MET18 4.5 69.2 1.0
CB H:THR31 4.6 59.3 1.0
CD H:GLN32 4.6 77.6 1.0
C2 H:94Y401 4.8 86.2 1.0
CE F:MET18 4.9 79.1 1.0
C F:MET18 4.9 68.7 1.0
NE2 H:GLN32 4.9 83.8 1.0
O16 H:94Y401 4.9 78.8 1.0
N H:GLN32 5.0 65.2 1.0

Bromine binding site 7 out of 8 in 5pzz

Go back to Bromine Binding Sites List in 5pzz
Bromine 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-(3,4-Dichlorophenyl)Sulfonylurea


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Br401

b:66.1
occ:0.56
 BR1 G:94Y401 0.0 66.1 0.6
C9 G:94Y401 1.9 76.6 1.0
C11 G:94Y401 2.9 66.2 1.0
S4 G:94Y401 3.1 71.5 1.0
CG G:MET18 3.5 47.8 1.0
CB G:MET18 3.8 44.2 1.0
O E:GLY28 3.8 66.5 1.0
CA E:GLY28 3.8 57.4 1.0
SD G:MET18 3.9 69.8 1.0
S4 E:94Y401 4.1 66.8 1.0
N7 G:94Y401 4.1 63.0 1.0
CG G:ARG22 4.1 49.5 1.0
CD G:ARG22 4.1 64.3 1.0
CG2 E:THR31 4.2 37.9 1.0
C2 G:94Y401 4.2 70.7 1.0
C E:GLY28 4.3 62.5 1.0
CA G:MET18 4.4 51.0 1.0
C9 E:94Y401 4.5 77.8 1.0
CG E:GLN32 4.5 44.0 1.0
CB E:THR31 4.5 48.2 1.0
O G:MET18 4.6 54.2 1.0
CE G:MET18 4.7 74.2 1.0
BR1 E:94Y401 4.8 78.7 0.8
O16 E:94Y401 4.8 54.6 1.0
C2 E:94Y401 4.9 73.9 1.0
CD E:GLN32 4.9 58.9 1.0
C G:MET18 4.9 51.3 1.0
O E:THR27 5.0 57.6 1.0

Bromine binding site 8 out of 8 in 5pzz

Go back to Bromine Binding Sites List in 5pzz
Bromine 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-(3,4-Dichlorophenyl)Sulfonylurea


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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-(3,4-Dichlorophenyl)Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br401

b:84.2
occ:0.62
 BR1 H:94Y401 0.0 84.2 0.6
C9 H:94Y401 1.9 88.1 1.0
C11 H:94Y401 2.9 90.7 1.0
S4 H:94Y401 3.1 87.0 1.0
O F:GLY28 3.5 70.4 1.0
CG H:MET18 3.7 74.2 1.0
CG2 F:THR31 3.8 55.4 1.0
CA F:GLY28 3.8 75.0 1.0
SD H:MET18 3.8 81.3 1.0
S4 F:94Y401 3.9 91.1 1.0
CB H:MET18 4.0 72.0 1.0
C9 F:94Y401 4.0 98.1 1.0
C F:GLY28 4.1 71.9 1.0
CB F:THR31 4.1 53.6 1.0
N7 H:94Y401 4.1 90.2 1.0
C2 H:94Y401 4.2 86.2 1.0
BR1 F:94Y401 4.5 94.0 0.7
C11 F:94Y401 4.5 97.9 1.0
C2 F:94Y401 4.5 95.4 1.0
O16 F:94Y401 4.5 74.6 1.0
CD H:ARG22 4.6 74.8 1.0
CE H:MET18 4.7 81.0 1.0
N7 F:94Y401 4.8 95.2 1.0
CA H:MET18 4.8 73.0 1.0
CG F:GLN32 4.8 78.8 1.0
CG H:ARG22 4.9 69.5 1.0
OG1 F:THR31 4.9 63.3 1.0
O H:MET18 5.0 80.6 1.0
N F:GLN32 5.0 65.2 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-(3,4-Dichlorophenyl) Sulfonylurea To Be Published.
Page generated: Thu Jul 11 00:40:23 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy