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Bromine in PDB 5q04: 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea, PDB code: 5q04 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) 29.24 / 2.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 66.281, 286.676, 83.272, 90.00, 97.68, 90.00
R / Rfree (%) 18.6 / 25.1

Other elements in 5q04:

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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea also contains other interesting chemical elements:

Chlorine (Cl) 8 atoms

Bromine Binding Sites:

Pages:

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

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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea (pdb code 5q04). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 16 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea, PDB code: 5q04:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 16 in 5q04

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Bromine 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea


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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:71.3
occ:0.43
 BR1 A:95P401 0.0 71.3 0.4
C10 A:95P401 1.8 61.6 1.0
C7 A:95P401 2.8 67.9 1.0
C4 A:95P401 2.8 51.5 1.0
SD A:MET177 3.4 73.2 1.0
CL18 A:95P401 3.5 86.5 1.0
CG1 A:VAL17 3.7 43.0 1.0
CE A:MET177 3.7 77.1 1.0
O A:VAL17 3.9 50.8 1.0
C2 A:95P401 4.0 60.0 1.0
CB A:GLU20 4.2 48.7 1.0
S3 A:95P401 4.3 67.3 1.0
CA A:VAL17 4.3 45.0 1.0
CB A:VAL17 4.3 46.0 1.0
CG2 A:VAL17 4.3 50.6 1.0
CD2 A:LEU30 4.4 34.3 1.0
N A:GLY21 4.5 41.8 1.0
C A:VAL17 4.6 46.0 1.0
OG1 A:THR31 4.7 46.6 1.0
CD1 A:LEU34 4.8 34.5 1.0
CA A:GLY21 4.9 52.8 1.0
C A:GLU20 4.9 48.1 1.0
CG A:LEU30 4.9 37.6 1.0

Bromine binding site 2 out of 16 in 5q04

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Bromine 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea


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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:60.0
occ:0.56
 BR2 A:95P401 0.0 60.0 0.6
C13 A:95P401 1.9 68.5 1.0
C14 A:95P401 2.9 67.8 1.0
S8 A:95P401 3.1 68.2 1.0
S8 C:95P401 3.5 61.9 1.0
CG A:MET18 3.6 51.2 1.0
CA C:GLY28 3.8 33.4 1.0
CG2 C:THR31 3.8 40.8 1.0
O C:GLY28 4.0 55.6 1.0
SD A:MET18 4.0 65.4 1.0
C13 C:95P401 4.0 70.2 1.0
N12 A:95P401 4.1 65.7 1.0
CB C:THR31 4.1 36.0 1.0
CB A:MET18 4.2 39.7 1.0
C5 A:95P401 4.2 69.2 1.0
C C:GLY28 4.3 43.0 1.0
C5 C:95P401 4.4 66.7 1.0
CD A:ARG22 4.4 71.4 1.0
O17 C:95P401 4.5 57.4 1.0
BR2 C:95P401 4.5 65.1 0.6
CG C:GLN32 4.5 50.6 1.0
CG A:ARG22 4.7 60.0 1.0
C14 C:95P401 4.7 70.5 1.0
OG1 C:THR31 4.8 33.7 1.0
CA A:MET18 4.8 45.6 1.0
N12 C:95P401 4.9 62.6 1.0
N11 C:95P401 4.9 64.2 1.0
O A:MET18 5.0 37.3 1.0
C9 C:95P401 5.0 62.8 1.0
N C:GLY28 5.0 46.3 1.0

Bromine binding site 3 out of 16 in 5q04

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Bromine 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea


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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br401

b:74.2
occ:0.44
 BR1 B:95P401 0.0 74.2 0.4
C10 B:95P401 1.9 83.6 1.0
C4 B:95P401 2.9 78.4 1.0
C7 B:95P401 2.9 98.5 1.0
SD B:MET177 3.5 71.6 1.0
CL18 B:95P401 3.6 0.1 1.0
CG1 B:VAL17 3.6 40.7 1.0
O B:VAL17 3.8 32.1 1.0
CE B:MET177 3.9 76.2 1.0
CB B:GLU20 4.1 46.3 1.0
C2 B:95P401 4.1 75.2 1.0
CA B:VAL17 4.2 36.1 1.0
N B:GLY21 4.3 40.0 1.0
CB B:VAL17 4.3 41.3 1.0
CD2 B:LEU30 4.3 38.9 1.0
S3 B:95P401 4.4 85.5 1.0
CD1 B:LEU34 4.4 39.2 1.0
C B:VAL17 4.5 43.5 1.0
CG2 B:VAL17 4.5 30.5 1.0
CA B:GLY21 4.6 34.9 1.0
OG1 B:THR31 4.8 42.1 1.0
C B:GLU20 4.8 50.6 1.0
CG B:LEU30 4.9 41.5 1.0
CG B:GLU20 5.0 65.8 1.0

Bromine binding site 4 out of 16 in 5q04

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Bromine 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea


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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br401

b:71.7
occ:0.52
 BR2 B:95P401 0.0 71.7 0.5
C13 B:95P401 1.9 71.7 1.0
C14 B:95P401 2.9 67.2 1.0
S8 B:95P401 3.1 67.1 1.0
CG B:MET18 3.4 40.1 1.0
CD B:ARG22 3.9 53.7 1.0
CB B:MET18 3.9 31.8 1.0
O D:GLY28 4.0 48.1 1.0
SD B:MET18 4.0 51.5 1.0
CA D:GLY28 4.1 27.6 1.0
C13 D:95P401 4.1 74.4 1.0
CG B:ARG22 4.1 45.7 1.0
N12 B:95P401 4.1 62.2 1.0
S8 D:95P401 4.1 68.8 1.0
C5 B:95P401 4.2 64.2 1.0
CG2 D:THR31 4.4 34.0 1.0
CB D:THR31 4.5 33.3 1.0
BR2 D:95P401 4.5 68.0 0.6
C D:GLY28 4.5 34.1 1.0
C14 D:95P401 4.5 69.0 1.0
CA B:MET18 4.5 39.2 1.0
CG D:GLN32 4.6 30.7 1.0
C5 D:95P401 4.7 64.9 1.0
O B:MET18 4.7 59.4 1.0
N12 D:95P401 4.8 63.2 1.0
O17 D:95P401 4.9 57.2 1.0
C B:MET18 5.0 46.9 1.0

Bromine binding site 5 out of 16 in 5q04

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Bromine 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea


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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br401

b:75.6
occ:0.48
 BR1 C:95P401 0.0 75.6 0.5
C10 C:95P401 1.9 71.9 1.0
C7 C:95P401 2.9 79.6 1.0
C4 C:95P401 2.9 67.5 1.0
CL18 C:95P401 3.5 0.8 1.0
SD C:MET177 3.7 66.1 1.0
O C:VAL17 3.8 47.6 1.0
CB C:GLU20 3.8 54.9 1.0
CG1 C:VAL17 3.9 25.3 1.0
C2 C:95P401 4.1 67.2 1.0
CE C:MET177 4.1 57.0 1.0
N C:GLY21 4.3 60.0 1.0
CA C:VAL17 4.3 32.8 1.0
S3 C:95P401 4.4 72.6 1.0
C C:VAL17 4.5 44.7 1.0
CB C:VAL17 4.5 32.0 1.0
CD1 C:LEU34 4.6 43.4 1.0
C C:GLU20 4.6 62.1 1.0
CD2 C:LEU30 4.7 49.0 1.0
CG2 C:VAL17 4.8 33.6 1.0
CA C:GLY21 4.8 59.8 1.0
CG C:GLU20 4.8 63.9 1.0
CA C:GLU20 4.8 57.7 1.0
OG1 C:THR31 4.9 33.7 1.0

Bromine binding site 6 out of 16 in 5q04

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Bromine 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea


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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Br401

b:65.1
occ:0.63
 BR2 C:95P401 0.0 65.1 0.6
C13 C:95P401 1.9 70.2 1.0
C14 C:95P401 2.9 70.5 1.0
S8 C:95P401 3.1 61.9 1.0
CG C:MET18 3.4 45.3 1.0
SD C:MET18 3.8 58.0 1.0
O A:GLY28 3.8 69.3 1.0
CB C:MET18 3.9 40.9 1.0
CA A:GLY28 3.9 54.8 1.0
CG2 A:THR31 4.0 34.2 1.0
N12 C:95P401 4.1 62.6 1.0
CG A:GLN32 4.1 60.3 1.0
C13 A:95P401 4.1 68.5 1.0
C5 C:95P401 4.2 66.7 1.0
S8 A:95P401 4.3 68.2 1.0
C A:GLY28 4.3 58.1 1.0
CB A:THR31 4.3 44.4 1.0
CD C:ARG22 4.5 66.0 1.0
C14 A:95P401 4.5 67.8 1.0
O17 A:95P401 4.5 81.6 1.0
BR2 A:95P401 4.5 60.0 0.6
CA C:MET18 4.6 46.3 1.0
CG C:ARG22 4.6 57.4 1.0
O C:MET18 4.7 51.3 1.0
C5 A:95P401 4.7 69.2 1.0
N A:GLN32 4.8 35.7 1.0
N12 A:95P401 4.8 65.7 1.0
CD A:GLN32 4.9 62.9 1.0
CE C:MET18 5.0 56.7 1.0
C C:MET18 5.0 58.3 1.0

Bromine binding site 7 out of 16 in 5q04

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Bromine 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea


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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br401

b:86.9
occ:0.43
 BR1 D:95P401 0.0 86.9 0.4
C10 D:95P401 1.9 88.7 1.0
C7 D:95P401 2.9 0.3 1.0
C4 D:95P401 3.0 75.9 1.0
CL18 D:95P401 3.4 0.4 1.0
CG1 D:VAL17 3.5 58.7 1.0
O D:VAL17 3.6 36.7 1.0
SD D:MET177 3.6 69.4 1.0
CE D:MET177 3.7 66.8 1.0
CB D:GLU20 3.7 51.7 1.0
CA D:VAL17 3.8 40.0 1.0
CB D:VAL17 4.0 50.4 1.0
C D:VAL17 4.1 39.0 1.0
CG2 D:VAL17 4.2 45.2 1.0
C2 D:95P401 4.2 78.5 1.0
N D:GLY21 4.3 55.3 1.0
S3 D:95P401 4.4 92.6 1.0
CD1 D:LEU34 4.6 32.2 1.0
CG D:GLU20 4.6 70.6 1.0
C D:GLU20 4.7 56.6 1.0
CA D:GLU20 4.7 42.3 1.0
OG1 D:THR31 4.7 34.1 1.0
CA D:GLY21 4.8 53.5 1.0

Bromine binding site 8 out of 16 in 5q04

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Bromine 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea


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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br401

b:68.0
occ:0.60
 BR2 D:95P401 0.0 68.0 0.6
C13 D:95P401 1.9 74.4 1.0
C14 D:95P401 2.9 69.0 1.0
S8 D:95P401 3.1 68.8 1.0
CG D:MET18 3.4 49.4 1.0
S8 B:95P401 3.7 67.1 1.0
SD D:MET18 3.8 66.8 1.0
CB D:MET18 4.0 39.8 1.0
O B:GLY28 4.0 43.6 1.0
CA B:GLY28 4.0 47.9 1.0
C13 B:95P401 4.0 71.7 1.0
CG2 B:THR31 4.1 31.6 1.0
N12 D:95P401 4.1 63.2 1.0
C5 D:95P401 4.3 64.9 1.0
CB B:THR31 4.3 32.4 1.0
CD D:ARG22 4.3 62.0 1.0
BR2 B:95P401 4.5 71.7 0.5
C B:GLY28 4.5 45.3 1.0
C5 B:95P401 4.5 64.2 1.0
CG D:ARG22 4.5 50.6 1.0
CA D:MET18 4.6 35.1 1.0
CG B:GLN32 4.6 63.4 1.0
C14 B:95P401 4.7 67.2 1.0
O D:MET18 4.8 49.8 1.0
N12 B:95P401 4.9 62.2 1.0
CE D:MET18 4.9 70.0 1.0
N B:GLN32 5.0 47.2 1.0

Bromine binding site 9 out of 16 in 5q04

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Bromine 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br401

b:73.3
occ:0.42
 BR1 E:95P401 0.0 73.3 0.4
C10 E:95P401 1.9 68.7 1.0
C7 E:95P401 2.9 80.3 1.0
C4 E:95P401 2.9 60.0 1.0
CL18 E:95P401 3.5 0.6 1.0
CG1 E:VAL17 3.7 25.0 1.0
SD E:MET177 3.7 69.2 1.0
O E:VAL17 3.7 44.5 1.0
CE E:MET177 3.9 57.7 1.0
CB E:GLU20 3.9 50.4 1.0
C2 E:95P401 4.1 65.2 1.0
N E:GLY21 4.1 60.5 1.0
CA E:VAL17 4.1 34.6 1.0
CB E:VAL17 4.3 31.6 1.0
C E:VAL17 4.4 44.6 1.0
S3 E:95P401 4.4 70.8 1.0
CG2 E:VAL17 4.5 28.8 1.0
C E:GLU20 4.5 59.0 1.0
CA E:GLY21 4.5 57.5 1.0
CD2 E:LEU30 4.6 42.9 1.0
CD1 E:LEU34 4.8 36.0 1.0
CA E:GLU20 4.8 47.1 1.0
OG1 E:THR31 4.9 42.3 1.0
CG E:GLU20 4.9 63.1 1.0

Bromine binding site 10 out of 16 in 5q04

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Bromine 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1,3-Thiazol-2- Yl)Urea within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br401

b:62.7
occ:0.58
 BR2 E:95P401 0.0 62.7 0.6
C13 E:95P401 1.9 78.5 1.0
C14 E:95P401 2.9 74.9 1.0
S8 E:95P401 3.1 74.9 1.0
CG E:MET18 3.4 59.8 1.0
SD E:MET18 3.8 59.7 1.0
O G:GLY28 3.9 45.3 1.0
CA G:GLY28 3.9 55.6 1.0
CB E:MET18 4.0 58.6 1.0
CG2 G:THR31 4.0 40.6 1.0
CD E:ARG22 4.1 77.7 1.0
N12 E:95P401 4.1 70.5 1.0
CB G:THR31 4.1 41.6 1.0
S8 G:95P401 4.2 68.8 1.0
CG E:ARG22 4.2 67.4 1.0
C13 G:95P401 4.2 73.4 1.0
C5 E:95P401 4.3 73.5 1.0
CG G:GLN32 4.3 45.4 1.0
C G:GLY28 4.4 51.1 1.0
O17 G:95P401 4.5 62.6 1.0
CA E:MET18 4.6 49.6 1.0
C5 G:95P401 4.7 65.0 1.0
BR2 G:95P401 4.7 89.2 0.9
C14 G:95P401 4.7 64.5 1.0
O E:MET18 4.8 50.9 1.0
OG1 G:THR31 4.9 47.3 1.0
CE E:MET18 4.9 64.4 1.0
CD G:GLN32 4.9 59.8 1.0
N G:GLN32 4.9 32.5 1.0
N12 G:95P401 4.9 59.0 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-(4-Bromo-5-Chlorothiophen-2-Yl)Sulfonyl-3-(5-Bromo-1, 3-Thiazol-2-Yl)Urea To Be Published.
Page generated: Thu Jul 11 00:44:19 2024

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