Fluorine in PDB 7ssj: Crystal Structure of the Desk-Desr Complex in the Phosphatase State

Enzymatic activity of Crystal Structure of the Desk-Desr Complex in the Phosphatase State

All present enzymatic activity of Crystal Structure of the Desk-Desr Complex in the Phosphatase State:
2.7.13.3;

Protein crystallography data

The structure of Crystal Structure of the Desk-Desr Complex in the Phosphatase State, PDB code: 7ssj was solved by F.Trajtenberg, A.Buschiazzo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 82.00 / 2.52
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 94.691, 94.691, 240.85, 90, 90, 120
R / Rfree (%) 25.3 / 28.9

Other elements in 7ssj:

The structure of Crystal Structure of the Desk-Desr Complex in the Phosphatase State also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State (pdb code 7ssj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 9 binding sites of Fluorine where determined in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State, PDB code: 7ssj:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Fluorine binding site 1 out of 9 in 7ssj

Go back to Fluorine Binding Sites List in 7ssj
Fluorine binding site 1 out of 9 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:73.6
occ:1.00
F1 B:BEF202 0.0 73.6 1.0
BE B:BEF202 1.6 72.6 1.0
F2 B:BEF202 2.4 72.0 1.0
OD1 B:ASP54 2.6 62.7 1.0
F3 B:BEF202 2.6 73.3 1.0
N B:GLU56 2.8 68.3 1.0
N B:ILE55 2.9 66.4 1.0
OG1 B:THR80 3.0 71.9 1.0
CB B:ILE55 3.2 69.7 1.0
CA B:ILE55 3.2 68.0 1.0
O B:HOH302 3.4 76.8 1.0
C B:ILE55 3.5 68.2 1.0
CG B:ASP54 3.6 61.1 1.0
CB B:THR80 3.6 69.7 1.0
CA B:THR80 3.7 66.3 1.0
CB B:GLU56 3.8 71.8 1.0
CA B:GLU56 3.8 69.4 1.0
O B:LEU79 3.9 68.3 1.0
CG B:GLU56 3.9 77.3 1.0
CG2 B:ILE55 4.0 70.4 1.0
C B:ASP54 4.1 65.7 1.0
OD2 B:ASP54 4.1 59.4 1.0
MG B:MG201 4.3 51.6 1.0
N B:THR81 4.3 64.8 1.0
CG1 B:ILE55 4.3 70.8 1.0
NZ B:LYS102 4.5 78.5 1.0
O B:GLU56 4.5 70.9 1.0
C B:THR80 4.5 65.6 1.0
CA B:ASP54 4.6 63.2 1.0
CD B:GLU56 4.6 87.3 1.0
C B:GLU56 4.6 70.4 1.0
O B:ILE55 4.7 68.0 1.0
CB B:ASP54 4.7 60.8 1.0
N B:THR80 4.7 65.9 1.0
C B:LEU79 4.7 67.1 1.0
OG1 B:THR81 4.9 68.4 1.0
CD1 B:ILE55 5.0 71.4 1.0
OE2 B:GLU56 5.0 90.2 1.0

Fluorine binding site 2 out of 9 in 7ssj

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Fluorine binding site 2 out of 9 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:72.0
occ:1.00
F2 B:BEF202 0.0 72.0 1.0
BE B:BEF202 1.5 72.6 1.0
F3 B:BEF202 2.4 73.3 1.0
F1 B:BEF202 2.4 73.6 1.0
OD1 B:ASP54 2.6 62.7 1.0
NZ B:LYS102 2.8 78.5 1.0
OG1 B:THR81 2.8 68.4 1.0
N B:THR81 3.2 64.8 1.0
CE B:LYS102 3.2 75.6 1.0
CA B:THR80 3.4 66.3 1.0
C B:THR80 3.6 65.6 1.0
CG B:ASP54 3.8 61.1 1.0
O B:HOH302 3.8 76.8 1.0
O A:HOH501 3.9 62.8 1.0
CB B:THR81 3.9 65.7 1.0
OG1 B:THR80 3.9 71.9 1.0
NE2 A:GLN193 4.0 73.3 1.0
CD B:LYS102 4.0 74.0 1.0
CA B:THR81 4.1 65.5 1.0
MG B:MG201 4.1 51.6 1.0
O B:LEU79 4.2 68.3 1.0
CB B:THR80 4.2 69.7 1.0
N B:THR80 4.3 65.9 1.0
OE1 A:GLN193 4.3 72.0 1.0
OD2 B:ASP54 4.3 59.4 1.0
C B:LEU79 4.6 67.1 1.0
N B:ILE55 4.6 66.4 1.0
O B:THR80 4.6 66.5 1.0
CD A:GLN193 4.6 71.8 1.0
CB B:ASP54 4.9 60.8 1.0
CB B:LYS102 4.9 70.2 1.0
N B:GLU56 5.0 68.3 1.0

Fluorine binding site 3 out of 9 in 7ssj

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Fluorine binding site 3 out of 9 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F202

b:73.3
occ:1.00
F3 B:BEF202 0.0 73.3 1.0
BE B:BEF202 1.6 72.6 1.0
MG B:MG201 2.1 51.6 1.0
F2 B:BEF202 2.4 72.0 1.0
F1 B:BEF202 2.6 73.6 1.0
OD1 B:ASP54 2.7 62.7 1.0
O A:HOH501 2.9 62.8 1.0
OD2 B:ASP54 3.1 59.4 1.0
O B:HOH303 3.1 70.7 1.0
O B:GLU56 3.2 70.9 1.0
CG B:ASP54 3.3 61.1 1.0
CB B:GLU56 3.4 71.8 1.0
NE2 A:GLN193 3.5 73.3 1.0
N B:GLU56 3.7 68.3 1.0
NZ B:LYS102 3.7 78.5 1.0
OE1 A:GLN193 3.8 72.0 1.0
CA B:GLU56 3.8 69.4 1.0
C B:GLU56 3.9 70.4 1.0
CD A:GLN193 4.0 71.8 1.0
CG B:GLU56 4.2 77.3 1.0
OD1 B:ASP9 4.2 68.1 1.0
O B:HOH302 4.3 76.8 1.0
OG1 B:THR81 4.3 68.4 1.0
OE2 B:GLU56 4.4 90.2 1.0
CD B:GLU56 4.6 87.3 1.0
N B:ILE55 4.6 66.4 1.0
C B:ILE55 4.7 68.2 1.0
CB B:ASP54 4.8 60.8 1.0
CE B:LYS102 4.8 75.6 1.0

Fluorine binding site 4 out of 9 in 7ssj

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Fluorine binding site 4 out of 9 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F202

b:77.8
occ:1.00
F1 E:BEF202 0.0 77.8 1.0
BE E:BEF202 1.6 75.6 1.0
OD1 E:ASP54 2.5 66.2 1.0
F2 E:BEF202 2.5 74.8 1.0
F3 E:BEF202 2.7 75.3 1.0
N E:GLU56 2.9 74.8 1.0
OG1 E:THR80 3.0 75.1 1.0
O E:HOH302 3.0 86.4 1.0
N E:ILE55 3.2 71.7 1.0
CB E:ILE55 3.4 71.3 1.0
CG E:ASP54 3.5 67.8 1.0
CA E:ILE55 3.5 72.0 1.0
C E:ILE55 3.6 73.2 1.0
CB E:GLU56 3.7 79.0 1.0
CB E:THR80 3.7 72.2 1.0
O E:LEU79 3.8 68.3 1.0
CG E:GLU56 3.8 85.1 1.0
CA E:GLU56 3.8 76.4 1.0
CA E:THR80 3.8 69.5 1.0
OD2 E:ASP54 4.0 67.8 1.0
C E:ASP54 4.2 72.1 1.0
CG1 E:ILE55 4.3 70.2 1.0
CG2 E:ILE55 4.3 71.9 1.0
CD E:GLU56 4.3 95.3 1.0
MG E:MG201 4.4 77.6 1.0
N E:THR81 4.5 70.4 1.0
O E:GLU56 4.6 78.8 1.0
CA E:ASP54 4.6 72.0 1.0
CB E:ASP54 4.6 70.4 1.0
NZ E:LYS102 4.6 82.4 1.0
C E:GLU56 4.6 77.9 1.0
C E:LEU79 4.7 67.8 1.0
C E:THR80 4.7 70.5 1.0
N E:THR80 4.7 67.7 1.0
O E:ILE55 4.8 72.3 1.0
OE1 E:GLU56 4.8 97.2 1.0
OE2 E:GLU56 4.8 99.7 1.0
CD1 E:ILE55 4.8 70.5 1.0

Fluorine binding site 5 out of 9 in 7ssj

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Fluorine binding site 5 out of 9 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F202

b:74.8
occ:1.00
F2 E:BEF202 0.0 74.8 1.0
BE E:BEF202 1.6 75.6 1.0
F3 E:BEF202 2.5 75.3 1.0
F1 E:BEF202 2.5 77.8 1.0
OD1 E:ASP54 2.5 66.2 1.0
NZ E:LYS102 2.8 82.4 1.0
OG1 E:THR81 2.9 71.5 1.0
O E:HOH302 3.2 86.4 1.0
N E:THR81 3.2 70.4 1.0
CE E:LYS102 3.3 82.0 1.0
CA E:THR80 3.4 69.5 1.0
CG E:ASP54 3.7 67.8 1.0
C E:THR80 3.7 70.5 1.0
OG1 E:THR80 3.9 75.1 1.0
CB E:THR81 3.9 71.6 1.0
O C:HOH501 4.0 75.5 1.0
O E:LEU79 4.1 68.3 1.0
OE1 C:GLN193 4.1 88.7 1.0
OD2 E:ASP54 4.2 67.8 1.0
CA E:THR81 4.2 71.3 1.0
MG E:MG201 4.2 77.6 1.0
CD E:LYS102 4.2 79.3 1.0
CB E:THR80 4.3 72.2 1.0
N E:THR80 4.3 67.7 1.0
C E:LEU79 4.5 67.8 1.0
O E:THR80 4.7 70.8 1.0
NE2 C:GLN193 4.7 84.4 1.0
CB E:ASP54 4.8 70.4 1.0
CD C:GLN193 4.8 84.5 1.0
N E:ILE55 4.9 71.7 1.0

Fluorine binding site 6 out of 9 in 7ssj

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Fluorine binding site 6 out of 9 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
E:F202

b:75.3
occ:1.00
F3 E:BEF202 0.0 75.3 1.0
BE E:BEF202 1.6 75.6 1.0
MG E:MG201 2.1 77.6 1.0
F2 E:BEF202 2.5 74.8 1.0
OD1 E:ASP54 2.6 66.2 1.0
F1 E:BEF202 2.7 77.8 1.0
OD2 E:ASP54 2.8 67.8 1.0
O E:HOH304 2.9 70.6 1.0
CG E:ASP54 3.1 67.8 1.0
O C:HOH501 3.1 75.5 1.0
O E:GLU56 3.2 78.8 1.0
CB E:GLU56 3.3 79.0 1.0
OE1 C:GLN193 3.6 88.7 1.0
N E:GLU56 3.7 74.8 1.0
NZ E:LYS102 3.8 82.4 1.0
CA E:GLU56 3.8 76.4 1.0
O E:HOH302 3.9 86.4 1.0
C E:GLU56 3.9 77.9 1.0
OD1 E:ASP9 4.2 75.4 1.0
CG E:GLU56 4.2 85.1 1.0
NE2 C:GLN193 4.2 84.4 1.0
OE2 E:GLU56 4.3 99.7 1.0
CD C:GLN193 4.3 84.5 1.0
CD E:GLU56 4.5 95.3 1.0
CB E:ASP54 4.6 70.4 1.0
OG1 E:THR81 4.7 71.5 1.0
C E:ILE55 4.8 73.2 1.0
N E:ILE55 4.9 71.7 1.0
CE E:LYS102 4.9 82.0 1.0

Fluorine binding site 7 out of 9 in 7ssj

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Fluorine binding site 7 out of 9 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F202

b:122.2
occ:1.00
F1 F:BEF202 0.0 122.2 1.0
BE F:BEF202 1.6 122.4 1.0
F3 F:BEF202 2.5 123.4 1.0
OD1 F:ASP54 2.6 118.2 1.0
F2 F:BEF202 2.6 122.2 1.0
N F:GLU56 3.0 113.2 1.0
OG1 F:THR80 3.1 107.5 1.0
N F:ILE55 3.3 110.9 1.0
CG F:ASP54 3.6 116.1 1.0
CB F:ILE55 3.7 111.7 1.0
CA F:ILE55 3.7 111.6 1.0
C F:ILE55 3.8 112.5 1.0
CB F:GLU56 3.8 117.2 1.0
CA F:GLU56 3.9 114.4 1.0
CB F:THR80 4.0 107.0 1.0
CA F:THR80 4.0 106.0 1.0
OD2 F:ASP54 4.0 116.5 1.0
O F:LEU79 4.2 103.9 1.0
CG1 F:ILE55 4.3 112.3 1.0
O F:GLU56 4.4 115.5 1.0
C F:ASP54 4.4 110.9 1.0
MG F:MG201 4.4 133.6 1.0
N F:THR81 4.4 109.0 1.0
C F:GLU56 4.6 115.1 1.0
NZ F:LYS102 4.7 112.4 1.0
CB F:ASP54 4.7 112.1 1.0
C F:THR80 4.8 107.6 1.0
CA F:ASP54 4.8 110.8 1.0
CG F:GLU56 4.9 123.2 1.0
CG2 F:ILE55 4.9 111.9 1.0
OE1 F:GLU56 4.9 132.5 1.0
O F:ILE55 4.9 112.3 1.0
O D:HOH503 4.9 92.4 1.0

Fluorine binding site 8 out of 9 in 7ssj

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Fluorine binding site 8 out of 9 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F202

b:122.2
occ:1.00
F2 F:BEF202 0.0 122.2 1.0
BE F:BEF202 1.6 122.4 1.0
OD1 F:ASP54 2.4 118.2 1.0
F3 F:BEF202 2.5 123.4 1.0
F1 F:BEF202 2.6 122.2 1.0
NZ F:LYS102 2.8 112.4 1.0
OG1 F:THR81 2.9 112.2 1.0
CE F:LYS102 3.4 110.6 1.0
O D:HOH503 3.5 92.4 1.0
N F:THR81 3.5 109.0 1.0
CG F:ASP54 3.5 116.1 1.0
OE1 D:GLN193 3.6 100.1 1.0
CB F:THR81 3.9 111.5 1.0
CA F:THR80 4.0 106.0 1.0
NE2 D:GLN193 4.0 96.6 1.0
OD2 F:ASP54 4.1 116.5 1.0
C F:THR80 4.1 107.6 1.0
MG F:MG201 4.1 133.6 1.0
OG1 F:THR80 4.2 107.5 1.0
CD F:LYS102 4.2 108.4 1.0
CD D:GLN193 4.3 96.9 1.0
CA F:THR81 4.3 110.7 1.0
O F:LEU79 4.6 103.9 1.0
CB F:ASP54 4.7 112.1 1.0
CB F:THR80 4.7 107.0 1.0
N F:THR80 4.9 104.8 1.0
N F:ILE55 5.0 110.9 1.0

Fluorine binding site 9 out of 9 in 7ssj

Go back to Fluorine Binding Sites List in 7ssj
Fluorine binding site 9 out of 9 in the Crystal Structure of the Desk-Desr Complex in the Phosphatase State


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Crystal Structure of the Desk-Desr Complex in the Phosphatase State within 5.0Å range:
probe atom residue distance (Å) B Occ
F:F202

b:123.4
occ:1.00
F3 F:BEF202 0.0 123.4 1.0
BE F:BEF202 1.5 122.4 1.0
MG F:MG201 2.1 133.6 1.0
F2 F:BEF202 2.5 122.2 1.0
F1 F:BEF202 2.5 122.2 1.0
OD1 F:ASP54 2.5 118.2 1.0
OD2 F:ASP54 2.7 116.5 1.0
O D:HOH503 2.8 92.4 1.0
O F:GLU56 2.9 115.5 1.0
CG F:ASP54 3.0 116.1 1.0
O F:HOH301 3.3 106.1 1.0
CB F:GLU56 3.5 117.2 1.0
OE1 D:GLN193 3.6 100.1 1.0
N F:GLU56 3.6 113.2 1.0
C F:GLU56 3.7 115.1 1.0
CA F:GLU56 3.8 114.4 1.0
NZ F:LYS102 4.0 112.4 1.0
OD1 F:ASP9 4.0 111.5 1.0
NE2 D:GLN193 4.3 96.6 1.0
CD D:GLN193 4.3 96.9 1.0
CB F:ASP54 4.5 112.1 1.0
C F:ILE55 4.6 112.5 1.0
N F:ILE55 4.7 110.9 1.0
OE1 F:GLU56 4.8 132.5 1.0
CG F:GLU56 4.9 123.2 1.0
N F:MET57 5.0 115.1 1.0
OG1 F:THR81 5.0 112.2 1.0

Reference:

S.Lima, J.Blanco, F.Olivieri, J.A.Imelio, F.Carrion, B.Alvarez, A.Buschiazzo, M.Marti, F.Trajtenberg. Molecular Basis of Unidirectional Information Transmission in Two-Component Systems: Lessons From the Desk-Desr Thermosensor To Be Published.
Page generated: Fri Aug 2 13:07:03 2024

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