Atomistry » Chlorine » PDB 5pb4-5qa4 » 5pzr
Atomistry »
  Chlorine »
    PDB 5pb4-5qa4 »
      5pzr »

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

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy