Fluorine in PDB 7zso: Human Purine Nucleoside Phosphorylase in Complex with Js-554

Enzymatic activity of Human Purine Nucleoside Phosphorylase in Complex with Js-554

All present enzymatic activity of Human Purine Nucleoside Phosphorylase in Complex with Js-554:
2.4.2.1;

Protein crystallography data

The structure of Human Purine Nucleoside Phosphorylase in Complex with Js-554, PDB code: 7zso was solved by S.Djukic, P.Pachl, P.Rezacova, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.81 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.48, 119.33, 130.18, 90, 90, 90
R / Rfree (%) 21.6 / 26.2

Other elements in 7zso:

The structure of Human Purine Nucleoside Phosphorylase in Complex with Js-554 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Fluorine atom in the Human Purine Nucleoside Phosphorylase in Complex with Js-554 (pdb code 7zso). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 15 binding sites of Fluorine where determined in the Human Purine Nucleoside Phosphorylase in Complex with Js-554, PDB code: 7zso:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 15 in 7zso

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Fluorine binding site 1 out of 15 in the Human Purine Nucleoside Phosphorylase in Complex with Js-554


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Purine Nucleoside Phosphorylase in Complex with Js-554 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:41.8
occ:1.00
 F1 A:JTC301 0.0 41.8 1.0
C18 A:JTC301 1.3 41.9 1.0
C13 A:JTC301 2.3 34.7 1.0
C17 A:JTC301 2.4 44.8 1.0
O1 A:JTC301 2.6 35.4 1.0
F2 A:JTC301 2.8 49.9 1.0
C14 A:JTC301 3.6 36.9 1.0
C16 A:JTC301 3.6 42.6 1.0
C10 A:JTC301 3.7 31.8 1.0
C9 A:JTC301 4.0 30.7 1.0
CD2 A:LEU261 4.1 44.3 1.0
NE2 A:HIS257 4.1 29.2 1.0
C15 A:JTC301 4.1 41.6 1.0
CE2 B:PHE159 4.2 23.4 1.0
CG A:LEU261 4.6 40.6 1.0
F5 A:JTC301 4.7 37.6 1.0
CD2 A:HIS257 4.7 28.4 1.0
CZ B:PHE159 4.7 23.0 1.0
F3 A:JTC301 4.7 48.0 1.0
C11 A:JTC301 4.9 29.7 1.0

Fluorine binding site 2 out of 15 in 7zso

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Fluorine binding site 2 out of 15 in the Human Purine Nucleoside Phosphorylase in Complex with Js-554


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Purine Nucleoside Phosphorylase in Complex with Js-554 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:49.9
occ:1.00
 F2 A:JTC301 0.0 49.9 1.0
C17 A:JTC301 1.3 44.8 1.0
C16 A:JTC301 2.3 42.6 1.0
C18 A:JTC301 2.4 41.9 1.0
F3 A:JTC301 2.7 48.0 1.0
F1 A:JTC301 2.8 41.8 1.0
O3 A:SO4308 3.2 64.5 1.0
CD2 A:LEU261 3.3 44.3 1.0
C15 A:JTC301 3.6 41.6 1.0
C13 A:JTC301 3.6 34.7 1.0
C14 A:JTC301 4.1 36.9 1.0
S A:SO4308 4.5 64.9 1.0
CG A:LEU261 4.5 40.6 1.0
O1 A:JTC301 4.7 35.4 1.0
F4 A:JTC301 4.7 41.9 1.0
O2 A:SO4308 4.9 67.2 1.0
OG A:SER33 4.9 31.9 1.0

Fluorine binding site 3 out of 15 in 7zso

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Fluorine binding site 3 out of 15 in the Human Purine Nucleoside Phosphorylase in Complex with Js-554


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human Purine Nucleoside Phosphorylase in Complex with Js-554 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:48.0
occ:1.00
 F3 A:JTC301 0.0 48.0 1.0
C16 A:JTC301 1.3 42.6 1.0
C15 A:JTC301 2.3 41.6 1.0
C17 A:JTC301 2.4 44.8 1.0
F4 A:JTC301 2.7 41.9 1.0
F2 A:JTC301 2.7 49.9 1.0
O3 A:SO4308 3.5 64.5 1.0
C14 A:JTC301 3.6 36.9 1.0
C18 A:JTC301 3.6 41.9 1.0
CA A:GLY264 3.8 27.0 1.0
CB A:SER33 3.8 29.4 1.0
N A:GLY34 3.9 30.4 1.0
C13 A:JTC301 4.1 34.7 1.0
CA A:SER33 4.1 30.0 1.0
CD2 A:LEU261 4.2 44.3 1.0
C A:SER33 4.3 30.4 1.0
O A:LEU261 4.3 32.2 1.0
OG A:SER33 4.4 31.9 1.0
C A:GLY264 4.4 26.5 1.0
O2 A:SO4308 4.4 67.2 1.0
S A:SO4308 4.5 64.9 1.0
CA A:LEU261 4.6 32.0 1.0
N A:GLY264 4.6 24.9 1.0
CA A:GLY34 4.6 31.1 1.0
O A:VAL260 4.7 27.7 1.0
F5 A:JTC301 4.7 37.6 1.0
N A:LYS265 4.7 28.4 1.0
F1 A:JTC301 4.7 41.8 1.0
C A:LEU261 4.9 32.2 1.0

Fluorine binding site 4 out of 15 in 7zso

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Fluorine binding site 4 out of 15 in the Human Purine Nucleoside Phosphorylase in Complex with Js-554


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Human Purine Nucleoside Phosphorylase in Complex with Js-554 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:41.9
occ:1.00
 F4 A:JTC301 0.0 41.9 1.0
C15 A:JTC301 1.3 41.6 1.0
C16 A:JTC301 2.4 42.6 1.0
C14 A:JTC301 2.4 36.9 1.0
F5 A:JTC301 2.7 37.6 1.0
F3 A:JTC301 2.7 48.0 1.0
O A:VAL260 2.9 27.7 1.0
CA A:GLY264 3.5 27.0 1.0
CB A:SER33 3.5 29.4 1.0
C17 A:JTC301 3.6 44.8 1.0
C13 A:JTC301 3.6 34.7 1.0
N A:GLY264 3.7 24.9 1.0
CG2 A:THR242 3.7 23.6 1.0
C A:VAL260 3.8 28.8 1.0
OG A:SER33 4.0 31.9 1.0
C18 A:JTC301 4.1 41.9 1.0
CB A:ALA116 4.2 20.7 1.0
CA A:LEU261 4.4 32.0 1.0
N A:LEU261 4.4 29.9 1.0
CA A:SER33 4.6 30.0 1.0
O A:LEU261 4.6 32.2 1.0
CB A:THR242 4.7 22.4 1.0
F2 A:JTC301 4.7 49.9 1.0
CA A:VAL260 4.7 30.1 1.0
CB A:VAL260 4.8 28.5 1.0
O1 A:JTC301 4.8 35.4 1.0
C A:GLY264 4.8 26.5 1.0
C A:ALA263 4.8 25.9 1.0
C A:SER33 4.8 30.4 1.0
C A:LEU261 4.8 32.2 1.0
CD2 A:LEU240 4.9 26.1 1.0

Fluorine binding site 5 out of 15 in 7zso

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Fluorine binding site 5 out of 15 in the Human Purine Nucleoside Phosphorylase in Complex with Js-554


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Human Purine Nucleoside Phosphorylase in Complex with Js-554 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:37.6
occ:1.00
 F5 A:JTC301 0.0 37.6 1.0
C14 A:JTC301 1.3 36.9 1.0
C15 A:JTC301 2.3 41.6 1.0
C13 A:JTC301 2.4 34.7 1.0
F4 A:JTC301 2.7 41.9 1.0
C10 A:JTC301 2.8 31.8 1.0
O1 A:JTC301 2.9 35.4 1.0
CG2 A:VAL260 3.1 30.9 1.0
C11 A:JTC301 3.1 29.7 1.0
C9 A:JTC301 3.2 30.7 1.0
CB A:VAL260 3.3 28.5 1.0
C16 A:JTC301 3.6 42.6 1.0
C18 A:JTC301 3.6 41.9 1.0
O A:VAL260 3.7 27.7 1.0
C A:VAL260 3.8 28.8 1.0
C12 A:JTC301 3.8 29.1 1.0
C8 A:JTC301 3.9 31.3 1.0
CB A:ALA116 4.0 20.7 1.0
CG2 A:THR242 4.1 23.6 1.0
C17 A:JTC301 4.1 44.8 1.0
CA A:VAL260 4.1 30.1 1.0
C7 A:JTC301 4.2 28.9 1.0
OG A:SER33 4.2 31.9 1.0
OG1 A:THR242 4.3 22.5 1.0
N A:LEU261 4.3 29.9 1.0
CB A:THR242 4.4 22.4 1.0
CG1 A:VAL260 4.4 26.7 1.0
CB A:SER33 4.6 29.4 1.0
F3 A:JTC301 4.7 48.0 1.0
F1 A:JTC301 4.7 41.8 1.0
C6 A:JTC301 4.9 22.1 1.0
C19 A:JTC301 4.9 30.9 1.0
CA A:LEU261 5.0 32.0 1.0

Fluorine binding site 6 out of 15 in 7zso

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Fluorine binding site 6 out of 15 in the Human Purine Nucleoside Phosphorylase in Complex with Js-554


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Human Purine Nucleoside Phosphorylase in Complex with Js-554 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:83.8
occ:1.00
 F1 B:JTC301 0.0 83.8 1.0
C18 B:JTC301 1.3 87.6 1.0
C17 B:JTC301 2.4 95.3 1.0
C13 B:JTC301 2.4 75.7 1.0
F2 B:JTC301 2.7 90.7 1.0
O1 B:JTC301 2.8 60.8 1.0
C10 B:JTC301 2.8 48.9 1.0
CG2 B:VAL260 2.8 69.0 1.0
C9 B:JTC301 3.2 45.0 1.0
CB B:VAL260 3.2 67.1 1.0
C11 B:JTC301 3.4 44.4 1.0
C B:VAL260 3.6 69.0 1.0
C14 B:JTC301 3.6 83.0 1.0
C16 B:JTC301 3.6 94.8 1.0
O B:VAL260 3.7 71.0 1.0
N B:LEU261 3.9 75.2 1.0
OG B:SER33 3.9 47.9 1.0
C8 B:JTC301 4.0 40.6 1.0
CA B:VAL260 4.0 67.1 1.0
C15 B:JTC301 4.1 90.3 1.0
C12 B:JTC301 4.1 41.3 1.0
C7 B:JTC301 4.4 41.1 1.0
CB B:ALA116 4.4 26.1 1.0
CA B:LEU261 4.5 82.3 1.0
CG1 B:VAL260 4.5 67.1 1.0
CG2 B:THR242 4.6 32.5 1.0
CB B:SER33 4.6 45.7 1.0
F3 B:JTC301 4.7 95.7 1.0
F5 B:JTC301 4.7 79.0 1.0
O B:HIS257 4.9 74.6 1.0
C19 B:JTC301 4.9 39.1 1.0
CB B:THR242 4.9 30.3 1.0

Fluorine binding site 7 out of 15 in 7zso

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Fluorine binding site 7 out of 15 in the Human Purine Nucleoside Phosphorylase in Complex with Js-554


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Human Purine Nucleoside Phosphorylase in Complex with Js-554 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:90.7
occ:1.00
 F2 B:JTC301 0.0 90.7 1.0
C17 B:JTC301 1.3 95.3 1.0
C16 B:JTC301 2.4 94.8 1.0
C18 B:JTC301 2.4 87.6 1.0
F3 B:JTC301 2.7 95.7 1.0
F1 B:JTC301 2.7 83.8 1.0
O B:VAL260 3.0 71.0 1.0
CA B:LEU261 3.6 82.3 1.0
C15 B:JTC301 3.6 90.3 1.0
C B:VAL260 3.6 69.0 1.0
C13 B:JTC301 3.6 75.7 1.0
OG B:SER33 3.8 47.9 1.0
N B:LEU261 3.8 75.2 1.0
O B:LEU261 4.0 87.7 1.0
CA B:GLY264 4.0 77.0 1.0
C14 B:JTC301 4.1 83.0 1.0
C B:SER33 4.2 44.1 1.0
CB B:SER33 4.2 45.7 1.0
C B:LEU261 4.2 87.2 1.0
O B:SER33 4.2 45.9 1.0
N B:GLY34 4.3 48.3 1.0
N B:GLY264 4.3 78.5 1.0
CA B:GLY34 4.4 51.5 1.0
O B:GLY264 4.6 87.3 1.0
CG2 B:THR242 4.6 32.5 1.0
C B:GLY264 4.6 80.7 1.0
F4 B:JTC301 4.7 88.6 1.0
CD1 B:LEU261 4.7 82.4 1.0
CB B:LEU261 4.8 81.9 1.0
O1 B:JTC301 4.8 60.8 1.0
CA B:VAL260 4.8 67.1 1.0
CA B:SER33 4.8 46.3 1.0
CG2 B:VAL260 4.9 69.0 1.0
CB B:VAL260 4.9 67.1 1.0
CB B:ALA116 4.9 26.1 1.0

Fluorine binding site 8 out of 15 in 7zso

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Fluorine binding site 8 out of 15 in the Human Purine Nucleoside Phosphorylase in Complex with Js-554


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Human Purine Nucleoside Phosphorylase in Complex with Js-554 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:95.7
occ:1.00
 F3 B:JTC301 0.0 95.7 1.0
C16 B:JTC301 1.3 94.8 1.0
C15 B:JTC301 2.4 90.3 1.0
C17 B:JTC301 2.4 95.3 1.0
F4 B:JTC301 2.7 88.6 1.0
F2 B:JTC301 2.7 90.7 1.0
N B:GLY34 3.3 48.3 1.0
O3 B:SO4304 3.5 87.3 1.0
CD1 B:LEU261 3.5 82.4 1.0
CA B:GLY34 3.6 51.5 1.0
C14 B:JTC301 3.6 83.0 1.0
C18 B:JTC301 3.6 87.6 1.0
C B:SER33 3.9 44.1 1.0
C13 B:JTC301 4.1 75.7 1.0
CB B:SER33 4.1 45.7 1.0
CA B:SER33 4.4 46.3 1.0
CA B:LEU261 4.4 82.3 1.0
O B:LEU261 4.5 87.7 1.0
O B:GLY264 4.5 87.3 1.0
OG B:SER33 4.6 47.9 1.0
O B:SER33 4.6 45.9 1.0
S B:SO4304 4.7 85.1 1.0
F5 B:JTC301 4.7 79.0 1.0
F1 B:JTC301 4.7 83.8 1.0
CG B:LEU261 4.8 79.6 1.0
O4 B:SO4304 4.9 93.3 1.0
CB B:LEU261 5.0 81.9 1.0

Fluorine binding site 9 out of 15 in 7zso

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Fluorine binding site 9 out of 15 in the Human Purine Nucleoside Phosphorylase in Complex with Js-554


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Human Purine Nucleoside Phosphorylase in Complex with Js-554 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:88.6
occ:1.00
 F4 B:JTC301 0.0 88.6 1.0
C15 B:JTC301 1.3 90.3 1.0
C16 B:JTC301 2.4 94.8 1.0
C14 B:JTC301 2.4 83.0 1.0
F3 B:JTC301 2.7 95.7 1.0
F5 B:JTC301 2.7 79.0 1.0
C17 B:JTC301 3.6 95.3 1.0
C13 B:JTC301 3.6 75.7 1.0
O3 B:SO4304 3.8 87.3 1.0
C18 B:JTC301 4.1 87.6 1.0
CD1 B:LEU261 4.1 82.4 1.0
CB B:SER33 4.5 45.7 1.0
F2 B:JTC301 4.7 90.7 1.0
O1 B:JTC301 4.7 60.8 1.0
N B:GLY34 5.0 48.3 1.0

Fluorine binding site 10 out of 15 in 7zso

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Fluorine binding site 10 out of 15 in the Human Purine Nucleoside Phosphorylase in Complex with Js-554


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Human Purine Nucleoside Phosphorylase in Complex with Js-554 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F301

b:79.0
occ:1.00
 F5 B:JTC301 0.0 79.0 1.0
C14 B:JTC301 1.3 83.0 1.0
C13 B:JTC301 2.3 75.7 1.0
C15 B:JTC301 2.4 90.3 1.0
O1 B:JTC301 2.7 60.8 1.0
F4 B:JTC301 2.7 88.6 1.0
NE2 B:HIS257 3.4 87.7 1.0
C18 B:JTC301 3.6 87.6 1.0
C16 B:JTC301 3.6 94.8 1.0
C10 B:JTC301 3.8 48.9 1.0
CE2 C:PHE159 3.9 29.8 1.0
C9 B:JTC301 4.1 45.0 1.0
C17 B:JTC301 4.1 95.3 1.0
CD2 B:HIS257 4.2 80.8 1.0
CE1 B:HIS257 4.4 87.6 1.0
CZ C:PHE159 4.6 28.2 1.0
F3 B:JTC301 4.7 95.7 1.0
F1 B:JTC301 4.7 83.8 1.0
CB B:SER33 4.9 45.7 1.0
CD2 C:PHE159 4.9 28.7 1.0
C11 B:JTC301 5.0 44.4 1.0

Reference:

J.Skacel, S.Djukic. Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Pnp Inhibitors To Be Published.
Page generated: Fri Aug 2 16:18:38 2024

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