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Chlorine in PDB 5q01: 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea, PDB code: 5q01 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) 30.41 / 2.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 66.435, 294.192, 83.569, 90.00, 97.56, 90.00
R / Rfree (%) 18.7 / 26.7

Other elements in 5q01:

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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea also contains other interesting chemical elements:

Bromine (Br) 8 atoms

Chlorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea (pdb code 5q01). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 16 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea, PDB code: 5q01:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 16 in 5q01

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Chlorine binding site 1 out of 16 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:59.4
occ:1.00
 CL1 A:95G401 0.0 59.4 1.0
C6 A:95G401 1.7 60.4 1.0
N8 A:95G401 2.7 62.1 1.0
C3 A:95G401 2.8 60.9 1.0
CD2 A:LEU175 3.4 39.5 1.0
CL7 A:95G401 3.5 62.8 1.0
CG A:LEU175 3.5 40.8 1.0
CB A:ALA161 3.8 27.0 1.0
N4 A:95G401 3.8 61.9 1.0
CB A:MET177 3.9 48.9 1.0
CD1 A:LEU34 3.9 47.7 1.0
C1 A:95G401 3.9 57.2 1.0
SD A:MET177 3.9 72.3 1.0
CD1 A:LEU175 3.9 35.6 1.0
CG A:MET177 4.4 48.0 1.0
O A:ALA176 4.6 27.1 1.0
CE A:MET177 4.8 73.1 1.0
CB A:LEU175 4.9 33.9 1.0
CD2 A:LEU34 4.9 41.5 1.0
CA A:MET177 5.0 59.8 1.0
CG A:LEU34 5.0 43.1 1.0
C A:ALA176 5.0 46.3 1.0

Chlorine binding site 2 out of 16 in 5q01

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Chlorine binding site 2 out of 16 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:62.8
occ:1.00
 CL7 A:95G401 0.0 62.8 1.0
C3 A:95G401 1.7 60.9 1.0
C1 A:95G401 2.8 57.2 1.0
C6 A:95G401 2.8 60.4 1.0
O2 A:95G401 3.4 36.6 1.0
CL1 A:95G401 3.5 59.4 1.0
CB A:GLU20 3.7 47.7 1.0
C10 A:95G401 3.9 27.0 1.0
N4 A:95G401 3.9 61.9 1.0
SD A:MET177 3.9 72.3 1.0
N8 A:95G401 4.0 62.1 1.0
CG A:GLU20 4.0 54.3 1.0
CG2 A:VAL17 4.0 25.6 1.0
C5 A:95G401 4.1 28.1 1.0
CA A:VAL17 4.2 36.9 1.0
CE2 A:PHE16 4.4 51.7 1.0
CG1 A:VAL17 4.4 21.2 1.0
CE A:MET177 4.4 73.1 1.0
CD1 A:LEU34 4.5 47.7 1.0
CB A:VAL17 4.5 24.1 1.0
O A:VAL17 4.6 43.0 1.0
CD2 A:PHE16 4.7 44.8 1.0
CD2 A:LEU175 4.8 39.5 1.0
O A:PHE16 4.9 46.1 1.0
C A:VAL17 5.0 43.6 1.0

Chlorine binding site 3 out of 16 in 5q01

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Chlorine binding site 3 out of 16 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:65.7
occ:1.00
 CL1 B:95G401 0.0 65.7 1.0
C6 B:95G401 1.7 61.7 1.0
N8 B:95G401 2.7 62.1 1.0
C3 B:95G401 2.8 58.1 1.0
CD2 B:LEU175 3.4 44.8 1.0
CB B:ALA161 3.4 35.1 1.0
CG B:LEU175 3.6 51.8 1.0
CL7 B:95G401 3.6 56.4 1.0
CD1 B:LEU175 3.8 47.7 1.0
N4 B:95G401 3.9 67.4 1.0
C1 B:95G401 4.0 61.3 1.0
CB B:MET177 4.0 41.6 1.0
CD1 B:LEU34 4.1 29.9 1.0
SD B:MET177 4.2 68.4 1.0
CG B:MET177 4.6 51.1 1.0
O B:ALA176 4.6 38.6 1.0
CD2 B:LEU34 4.7 30.6 1.0
CA B:ALA161 4.7 50.5 1.0

Chlorine binding site 4 out of 16 in 5q01

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Chlorine binding site 4 out of 16 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:56.4
occ:1.00
 CL7 B:95G401 0.0 56.4 1.0
C3 B:95G401 1.7 58.1 1.0
C1 B:95G401 2.8 61.3 1.0
C6 B:95G401 2.8 61.7 1.0
O2 B:95G401 3.4 53.9 1.0
CL1 B:95G401 3.6 65.7 1.0
CB B:GLU20 3.7 42.8 1.0
CE1 B:PHE16 3.9 39.8 1.0
CA B:VAL17 3.9 38.9 1.0
N4 B:95G401 3.9 67.4 1.0
N8 B:95G401 3.9 62.1 1.0
CG2 B:VAL17 4.0 17.7 1.0
SD B:MET177 4.0 68.4 1.0
CG B:GLU20 4.0 48.6 1.0
C10 B:95G401 4.1 58.5 1.0
CD1 B:PHE16 4.1 40.0 1.0
C5 B:95G401 4.2 54.0 1.0
CB B:VAL17 4.3 17.8 1.0
CG1 B:VAL17 4.3 17.9 1.0
O B:VAL17 4.4 54.1 1.0
CD1 B:LEU34 4.4 29.9 1.0
O B:PHE16 4.5 29.1 1.0
CE B:MET177 4.6 67.7 1.0
C B:VAL17 4.6 49.5 1.0
N B:VAL17 4.7 43.6 1.0
CD2 B:LEU175 4.8 44.8 1.0
C B:PHE16 4.9 36.1 1.0
CZ B:PHE16 5.0 37.6 1.0

Chlorine binding site 5 out of 16 in 5q01

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Chlorine binding site 5 out of 16 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:49.7
occ:1.00
 CL1 C:95G401 0.0 49.7 1.0
C6 C:95G401 1.7 53.5 1.0
N8 C:95G401 2.8 58.8 1.0
C3 C:95G401 2.8 54.3 1.0
CL7 C:95G401 3.4 55.7 1.0
CG C:LEU175 3.7 39.9 1.0
CB C:ALA161 3.7 30.4 1.0
CD1 C:LEU34 3.8 35.6 1.0
N4 C:95G401 3.9 45.4 1.0
CD2 C:LEU175 3.9 41.5 1.0
C1 C:95G401 3.9 50.4 1.0
CD1 C:LEU175 3.9 40.6 1.0
CB C:MET177 4.0 33.6 1.0
SD C:MET177 4.2 67.3 1.0
O C:ALA176 4.4 40.4 1.0
CD2 C:LEU34 4.5 20.1 1.0
CG C:MET177 4.5 43.3 1.0
CG C:LEU34 4.8 34.9 1.0

Chlorine binding site 6 out of 16 in 5q01

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Chlorine binding site 6 out of 16 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl401

b:55.7
occ:1.00
 CL7 C:95G401 0.0 55.7 1.0
C3 C:95G401 1.7 54.3 1.0
C1 C:95G401 2.8 50.4 1.0
C6 C:95G401 2.8 53.5 1.0
O2 C:95G401 3.4 45.9 1.0
CL1 C:95G401 3.4 49.7 1.0
CG2 C:VAL17 3.6 22.9 1.0
CA C:VAL17 3.9 35.1 1.0
CG1 C:VAL17 3.9 17.7 1.0
N4 C:95G401 3.9 45.4 1.0
C10 C:95G401 3.9 43.3 1.0
CB C:GLU20 3.9 53.9 1.0
N8 C:95G401 3.9 58.8 1.0
CB C:VAL17 4.0 38.6 1.0
CE1 C:PHE16 4.0 41.7 1.0
SD C:MET177 4.0 67.3 1.0
C5 C:95G401 4.1 46.0 1.0
CD1 C:LEU34 4.1 35.6 1.0
CG C:GLU20 4.2 59.4 1.0
CD1 C:PHE16 4.2 48.1 1.0
CE C:MET177 4.6 68.0 1.0
O C:VAL17 4.6 38.6 1.0
C C:VAL17 4.8 39.8 1.0
N C:VAL17 4.8 38.0 1.0
O C:PHE16 4.9 37.6 1.0
CD2 C:LEU175 5.0 41.5 1.0

Chlorine binding site 7 out of 16 in 5q01

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Chlorine binding site 7 out of 16 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:67.5
occ:1.00
 CL1 D:95G401 0.0 67.5 1.0
C6 D:95G401 1.7 53.3 1.0
N8 D:95G401 2.7 51.4 1.0
C3 D:95G401 2.7 47.7 1.0
CD2 D:LEU175 3.4 29.8 1.0
CB D:ALA161 3.4 13.6 1.0
CL7 D:95G401 3.5 50.7 1.0
CG D:LEU175 3.6 34.8 1.0
CD1 D:LEU175 3.7 29.6 1.0
N4 D:95G401 3.8 53.3 1.0
C1 D:95G401 3.9 52.7 1.0
CD1 D:LEU34 3.9 24.9 1.0
CB D:MET177 4.1 34.2 1.0
SD D:MET177 4.3 59.9 1.0
O D:ALA176 4.6 44.7 1.0
CG D:MET177 4.6 45.9 1.0
CA D:ALA161 4.7 24.4 1.0
CD2 D:LEU34 4.9 26.2 1.0

Chlorine binding site 8 out of 16 in 5q01

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Chlorine binding site 8 out of 16 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl401

b:50.7
occ:1.00
 CL7 D:95G401 0.0 50.7 1.0
C3 D:95G401 1.7 47.7 1.0
C1 D:95G401 2.7 52.7 1.0
C6 D:95G401 2.8 53.3 1.0
O2 D:95G401 3.3 55.8 1.0
CL1 D:95G401 3.5 67.5 1.0
CB D:GLU20 3.6 47.7 1.0
C10 D:95G401 3.7 40.9 1.0
N4 D:95G401 3.9 53.3 1.0
CE1 D:PHE16 3.9 41.3 1.0
SD D:MET177 3.9 59.9 1.0
N8 D:95G401 3.9 51.4 1.0
CG D:GLU20 4.0 62.6 1.0
C5 D:95G401 4.0 44.8 1.0
CA D:VAL17 4.0 24.2 1.0
CG2 D:VAL17 4.2 19.8 1.0
CD1 D:PHE16 4.3 40.5 1.0
CG1 D:VAL17 4.4 46.4 1.0
O D:VAL17 4.4 31.3 1.0
CB D:VAL17 4.4 26.7 1.0
CD1 D:LEU34 4.5 24.9 1.0
CE D:MET177 4.5 57.3 1.0
C D:VAL17 4.8 36.6 1.0
O D:PHE16 4.8 49.2 1.0
CD2 D:LEU175 4.9 29.8 1.0
CZ D:PHE16 4.9 35.1 1.0
N D:VAL17 4.9 30.9 1.0
C13 D:95G401 5.0 50.0 1.0

Chlorine binding site 9 out of 16 in 5q01

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Chlorine binding site 9 out of 16 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:43.5
occ:1.00
 CL1 E:95G401 0.0 43.5 1.0
C6 E:95G401 1.7 53.0 1.0
N8 E:95G401 2.8 50.8 1.0
C3 E:95G401 2.8 58.1 1.0
CD2 E:LEU175 3.3 31.5 1.0
CD1 E:LEU34 3.5 43.5 1.0
CG E:LEU175 3.5 36.2 1.0
CL7 E:95G401 3.6 70.1 1.0
CB E:ALA161 3.7 49.1 1.0
CD1 E:LEU175 3.7 36.1 1.0
N4 E:95G401 3.9 59.2 1.0
C1 E:95G401 3.9 59.0 1.0
CB E:MET177 4.0 53.8 1.0
O E:ALA176 4.4 35.8 1.0
SD E:MET177 4.5 82.7 1.0
CG E:MET177 4.6 69.1 1.0
CG E:LEU34 4.7 46.3 1.0
CD2 E:LEU34 4.8 37.7 1.0
C E:ALA176 4.9 44.1 1.0

Chlorine binding site 10 out of 16 in 5q01

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Chlorine binding site 10 out of 16 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 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-[4-(4,5-Dichloro-2-Methylpyrazol-3- Yl)Oxyphenyl]Sulfonylurea within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl401

b:70.1
occ:1.00
 CL7 E:95G401 0.0 70.1 1.0
C3 E:95G401 1.7 58.1 1.0
C1 E:95G401 2.8 59.0 1.0
C6 E:95G401 2.8 53.0 1.0
O2 E:95G401 3.3 45.2 1.0
CL1 E:95G401 3.6 43.5 1.0
N4 E:95G401 3.9 59.2 1.0
CB E:GLU20 3.9 50.6 1.0
CG2 E:VAL17 3.9 24.2 1.0
C10 E:95G401 3.9 28.7 1.0
N8 E:95G401 4.0 50.8 1.0
CA E:VAL17 4.0 42.9 1.0
CE2 E:PHE16 4.0 33.0 1.0
C5 E:95G401 4.1 31.8 1.0
CG1 E:VAL17 4.1 34.6 1.0
SD E:MET177 4.2 82.7 1.0
CD1 E:LEU34 4.2 43.5 1.0
CB E:VAL17 4.2 33.9 1.0
CG E:GLU20 4.2 61.5 1.0
CD2 E:PHE16 4.4 35.5 1.0
O E:VAL17 4.6 44.7 1.0
CD2 E:LEU175 4.7 31.5 1.0
C E:VAL17 4.9 48.8 1.0
CE E:MET177 4.9 73.7 1.0
O E:PHE16 4.9 43.6 1.0
N E:VAL17 4.9 44.2 1.0
CZ E:PHE16 5.0 36.1 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-(5-Bromo-1,3-Thiazol-2-Yl)-3-[4-(4, 5-Dichloro-2-Methylpyrazol-3-Yl)Oxyphenyl]Sulfonylurea To Be Published.
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