Fluorine in PDB 7zsp: Human Purine Nucleoside Phosphorylase in Complex with Js-555

Enzymatic activity of Human Purine Nucleoside Phosphorylase in Complex with Js-555

All present enzymatic activity of Human Purine Nucleoside Phosphorylase in Complex with Js-555:
2.4.2.1;

Protein crystallography data

The structure of Human Purine Nucleoside Phosphorylase in Complex with Js-555, PDB code: 7zsp 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) 49.28 / 2.29
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 142.36, 142.36, 163.61, 90, 90, 120
R / Rfree (%) 21.4 / 25.6

Other elements in 7zsp:

The structure of Human Purine Nucleoside Phosphorylase in Complex with Js-555 also contains other interesting chemical elements:

Sodium (Na) 1 atom
Tungsten (W) 18 atoms
Tellurium (Te) 3 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human Purine Nucleoside Phosphorylase in Complex with Js-555 (pdb code 7zsp). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 5 binding sites of Fluorine where determined in the Human Purine Nucleoside Phosphorylase in Complex with Js-555, PDB code: 7zsp:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5;

Fluorine binding site 1 out of 5 in 7zsp

Go back to Fluorine Binding Sites List in 7zsp
Fluorine binding site 1 out of 5 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


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-555 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:70.6
occ:1.00
 F1 A:JT3301 0.0 70.6 1.0
C20 A:JT3301 1.3 69.4 1.0
C15 A:JT3301 2.3 70.1 1.0
C19 A:JT3301 2.4 71.1 1.0
O5 A:JT3301 2.7 61.5 1.0
F2 A:JT3301 2.7 69.0 1.0
OH A:TYR88 3.0 65.8 1.0
C16 A:JT3301 3.6 73.8 1.0
C18 A:JT3301 3.6 70.8 1.0
C9 A:JT3301 3.6 55.9 1.0
CE1 A:HIS86 3.9 53.2 1.0
NE2 A:HIS86 4.1 57.2 1.0
C17 A:JT3301 4.1 74.9 1.0
C14 A:JT3301 4.1 56.4 1.0
CB A:SER33 4.1 108.7 1.0
C10 A:JT3301 4.3 57.0 1.0
CZ A:TYR88 4.4 57.2 1.0
C13 A:JT3301 4.4 55.7 1.0
C8 A:JT3301 4.4 57.1 1.0
OG A:SER33 4.4 113.8 1.0
F3 A:JT3301 4.7 81.4 1.0
ND1 A:HIS86 4.7 54.3 1.0
F5 A:JT3301 4.7 76.2 1.0
O1 A:JT3301 4.9 55.6 1.0
CD2 A:HIS86 4.9 59.2 1.0

Fluorine binding site 2 out of 5 in 7zsp

Go back to Fluorine Binding Sites List in 7zsp
Fluorine binding site 2 out of 5 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


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-555 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:69.0
occ:1.00
 F2 A:JT3301 0.0 69.0 1.0
C19 A:JT3301 1.3 71.1 1.0
C18 A:JT3301 2.3 70.8 1.0
C20 A:JT3301 2.4 69.4 1.0
F3 A:JT3301 2.7 81.4 1.0
F1 A:JT3301 2.7 70.6 1.0
C17 A:JT3301 3.6 74.9 1.0
C15 A:JT3301 3.6 70.1 1.0
CG2 A:VAL61 4.1 120.7 1.0
C16 A:JT3301 4.1 73.8 1.0
OH A:TYR88 4.3 65.8 1.0
CG1 A:VAL61 4.6 129.7 1.0
F4 A:JT3301 4.7 86.3 1.0
O5 A:JT3301 4.7 61.5 1.0

Fluorine binding site 3 out of 5 in 7zsp

Go back to Fluorine Binding Sites List in 7zsp
Fluorine binding site 3 out of 5 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


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-555 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:81.4
occ:1.00
 F3 A:JT3301 0.0 81.4 1.0
C18 A:JT3301 1.3 70.8 1.0
C19 A:JT3301 2.3 71.1 1.0
C17 A:JT3301 2.4 74.9 1.0
F2 A:JT3301 2.7 69.0 1.0
F4 A:JT3301 2.7 86.3 1.0
C20 A:JT3301 3.6 69.4 1.0
C16 A:JT3301 3.6 73.8 1.0
C15 A:JT3301 4.1 70.1 1.0
F1 A:JT3301 4.7 70.6 1.0
F5 A:JT3301 4.7 76.2 1.0
ND1 A:HIS257 4.8 94.0 1.0

Fluorine binding site 4 out of 5 in 7zsp

Go back to Fluorine Binding Sites List in 7zsp
Fluorine binding site 4 out of 5 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


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-555 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:86.3
occ:1.00
 F4 A:JT3301 0.0 86.3 1.0
C17 A:JT3301 1.3 74.9 1.0
C18 A:JT3301 2.3 70.8 1.0
C16 A:JT3301 2.4 73.8 1.0
F3 A:JT3301 2.7 81.4 1.0
F5 A:JT3301 2.7 76.2 1.0
ND1 A:HIS257 3.0 94.0 1.0
CG A:LEU261 3.6 93.7 1.0
CD1 A:LEU261 3.6 89.0 1.0
C19 A:JT3301 3.6 71.1 1.0
C15 A:JT3301 3.6 70.1 1.0
CD2 A:LEU261 3.7 94.0 1.0
CE1 A:HIS257 3.9 95.8 1.0
CG A:HIS257 3.9 89.8 1.0
CB A:HIS257 4.0 78.7 1.0
C20 A:JT3301 4.1 69.4 1.0
O A:HIS257 4.2 89.1 1.0
OG A:SER33 4.7 113.8 1.0
F2 A:JT3301 4.7 69.0 1.0
O5 A:JT3301 4.8 61.5 1.0
C A:HIS257 4.8 79.8 1.0
CA A:HIS257 4.9 75.9 1.0

Fluorine binding site 5 out of 5 in 7zsp

Go back to Fluorine Binding Sites List in 7zsp
Fluorine binding site 5 out of 5 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


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-555 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:76.2
occ:1.00
 F5 A:JT3301 0.0 76.2 1.0
C16 A:JT3301 1.3 73.8 1.0
C17 A:JT3301 2.4 74.9 1.0
C15 A:JT3301 2.4 70.1 1.0
F4 A:JT3301 2.7 86.3 1.0
O5 A:JT3301 2.8 61.5 1.0
C10 A:JT3301 3.1 57.0 1.0
C9 A:JT3301 3.2 55.9 1.0
OG A:SER33 3.5 113.8 1.0
CG1 A:VAL260 3.6 66.3 1.0
C18 A:JT3301 3.6 70.8 1.0
C20 A:JT3301 3.6 69.4 1.0
O A:HIS257 3.6 89.1 1.0
CB A:VAL260 3.8 68.9 1.0
CB A:HIS257 3.8 78.7 1.0
C19 A:JT3301 4.1 71.1 1.0
CG A:LEU261 4.2 93.7 1.0
C11 A:JT3301 4.2 63.1 1.0
CA A:HIS257 4.2 75.9 1.0
CD2 A:LEU261 4.3 94.0 1.0
C8 A:JT3301 4.3 57.1 1.0
C A:HIS257 4.4 79.8 1.0
CB A:SER33 4.4 108.7 1.0
N A:LEU261 4.5 80.4 1.0
ND1 A:HIS257 4.5 94.0 1.0
CG2 A:VAL260 4.6 68.4 1.0
CG A:HIS257 4.6 89.8 1.0
F3 A:JT3301 4.7 81.4 1.0
F1 A:JT3301 4.7 70.6 1.0
C A:VAL260 4.9 72.7 1.0
CA A:VAL260 4.9 74.0 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 16:19:23 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy