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Tungsten in PDB 7zsq: 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: 7zsq 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) 48.38 / 1.77
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.07, 90.93, 143.07, 90, 90, 90
R / Rfree (%) 18.2 / 21.4

Other elements in 7zsq:

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

Tellurium (Te) 1 atom

Tungsten Binding Sites:

The binding sites of Tungsten atom in the Human Purine Nucleoside Phosphorylase in Complex with Js-555 (pdb code 7zsq). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 6 binding sites of Tungsten where determined in the Human Purine Nucleoside Phosphorylase in Complex with Js-555, PDB code: 7zsq:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6;

Tungsten binding site 1 out of 6 in 7zsq

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Tungsten binding site 1 out of 6 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W 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:W302

b:28.2
occ:0.66
 W1 A:TEW302 0.0 28.2 0.7
O5 A:TEW302 1.7 31.1 0.7
O6 A:TEW302 1.7 31.9 0.7
O3 A:TEW302 1.9 30.1 0.7
O4 A:TEW302 2.0 28.1 0.7
O1 A:TEW302 2.2 26.9 0.7
O2 A:TEW302 2.3 35.4 0.7
W2 A:TEW302 3.3 30.1 0.7
W3 A:TEW302 3.3 31.5 0.7
TE1 A:TEW302 3.4 32.2 0.7
O8 A:TEW302 3.5 24.5 0.7
O15 A:TEW302 3.8 35.8 0.7
O7 A:TEW302 3.8 30.0 0.7
O13 A:TEW302 3.9 31.9 0.7
O16 A:TEW302 4.3 29.4 0.7
CE1 A:HIS90 4.4 30.6 1.0
O A:HOH444 4.6 36.8 1.0
O9 A:TEW302 4.6 33.2 0.7
CA A:GLY87 4.6 35.5 1.0
O14 A:TEW302 4.7 29.7 0.7
O A:ARG88 4.7 30.8 1.0
O10 A:TEW302 4.7 26.6 0.7
N A:ARG88 4.7 35.5 1.0
O12 A:TEW302 4.9 30.0 0.7
CB A:SER36 4.9 43.9 1.0

Tungsten binding site 2 out of 6 in 7zsq

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Tungsten binding site 2 out of 6 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W 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:W302

b:30.1
occ:0.66
 W2 A:TEW302 0.0 30.1 0.7
O8 A:TEW302 1.7 24.5 0.7
O9 A:TEW302 1.7 33.2 0.7
O3 A:TEW302 2.0 30.1 0.7
O10 A:TEW302 2.0 26.6 0.7
O7 A:TEW302 2.3 30.0 0.7
O1 A:TEW302 2.4 26.9 0.7
TE1 A:TEW302 3.1 32.2 0.7
W4 A:TEW302 3.3 33.5 0.7
W1 A:TEW302 3.3 28.2 0.7
O19 A:TEW302 3.7 35.8 0.7
O6 A:TEW302 3.8 31.9 0.7
O12 A:TEW302 3.8 30.0 0.7
O2 A:TEW302 3.9 35.4 0.7
O A:HOH444 4.2 36.8 1.0
O5 A:TEW302 4.4 31.1 0.7
O18 A:TEW302 4.5 33.4 0.7
CD2 A:LEU39 4.6 40.4 1.0
O17 A:TEW302 4.7 32.2 0.7
O4 A:TEW302 4.8 28.1 0.7
O11 A:TEW302 4.9 32.0 0.7
O13 A:TEW302 5.0 31.9 0.7

Tungsten binding site 3 out of 6 in 7zsq

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Tungsten binding site 3 out of 6 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W 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:W302

b:31.5
occ:0.66
 W3 A:TEW302 0.0 31.5 0.7
O15 A:TEW302 1.7 35.8 0.7
O16 A:TEW302 1.7 29.4 0.7
O14 A:TEW302 1.9 29.7 0.7
O4 A:TEW302 2.0 28.1 0.7
O2 A:TEW302 2.3 35.4 0.7
O13 A:TEW302 2.3 31.9 0.7
W6 A:TEW302 3.3 31.1 0.7
W1 A:TEW302 3.3 28.2 0.7
TE1 A:TEW302 3.4 32.2 0.7
O31 A:TEW302 3.6 28.8 0.7
O1 A:TEW302 3.7 26.9 0.7
O11 A:TEW302 3.8 32.0 0.7
OH A:TYR92 3.9 30.8 1.0
O5 A:TEW302 4.0 31.1 0.7
CE1 A:HIS90 4.1 30.6 1.0
OG A:SER36 4.1 50.3 1.0
NE2 A:HIS243 4.2 41.3 1.0
CE1 A:HIS243 4.2 42.8 1.0
O23 A:TEW302 4.3 23.8 0.7
CB A:SER36 4.4 43.9 1.0
O6 A:TEW302 4.5 31.9 0.7
ND1 A:HIS90 4.6 31.0 1.0
CZ B:PHE153 4.7 32.9 1.0
O3 A:TEW302 4.7 30.1 0.7
O12 A:TEW302 4.8 30.0 0.7
O7 A:TEW302 4.8 30.0 0.7
O20 A:TEW302 4.8 31.4 0.7
CE2 B:PHE153 4.9 33.8 1.0

Tungsten binding site 4 out of 6 in 7zsq

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Tungsten binding site 4 out of 6 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W 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:W302

b:33.5
occ:0.66
 W4 A:TEW302 0.0 33.5 0.7
O18 A:TEW302 1.7 33.4 0.7
O19 A:TEW302 1.7 35.8 0.7
O10 A:TEW302 1.9 26.6 0.7
O17 A:TEW302 1.9 32.2 0.7
O7 A:TEW302 2.3 30.0 0.7
O12 A:TEW302 2.4 30.0 0.7
TE1 A:TEW302 3.1 32.2 0.7
W5 A:TEW302 3.2 30.9 0.7
W2 A:TEW302 3.3 30.1 0.7
O21 A:TEW302 3.6 30.3 0.7
O9 A:TEW302 3.8 33.2 0.7
O11 A:TEW302 3.8 32.0 0.7
O1 A:TEW302 3.9 26.9 0.7
NE2 A:HIS68 4.0 36.8 1.0
CD2 A:HIS68 4.2 42.2 1.0
O22 A:TEW302 4.4 29.2 0.7
O8 A:TEW302 4.5 24.5 0.7
O3 A:TEW302 4.7 30.1 0.7
O20 A:TEW302 4.8 31.4 0.7
O13 A:TEW302 5.0 31.9 0.7

Tungsten binding site 5 out of 6 in 7zsq

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Tungsten binding site 5 out of 6 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W 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:W302

b:30.9
occ:0.66
 W5 A:TEW302 0.0 30.9 0.7
O22 A:TEW302 1.7 29.2 0.7
O21 A:TEW302 1.7 30.3 0.7
O20 A:TEW302 2.0 31.4 0.7
O17 A:TEW302 2.0 32.2 0.7
O12 A:TEW302 2.2 30.0 0.7
O11 A:TEW302 2.3 32.0 0.7
W4 A:TEW302 3.2 33.5 0.7
TE1 A:TEW302 3.3 32.2 0.7
W6 A:TEW302 3.3 31.1 0.7
O23 A:TEW302 3.6 23.8 0.7
O18 A:TEW302 3.6 33.4 0.7
O7 A:TEW302 3.8 30.0 0.7
O13 A:TEW302 3.9 31.9 0.7
O19 A:TEW302 4.5 35.8 0.7
O10 A:TEW302 4.5 26.6 0.7
O31 A:TEW302 4.6 28.8 0.7
O14 A:TEW302 4.6 29.7 0.7
O1 A:TEW302 4.9 26.9 0.7

Tungsten binding site 6 out of 6 in 7zsq

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Tungsten binding site 6 out of 6 in the Human Purine Nucleoside Phosphorylase in Complex with Js-555


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Human Purine Nucleoside Phosphorylase in Complex with Js-555 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W302

b:31.1
occ:0.66
 W6 A:TEW302 0.0 31.1 0.7
O23 A:TEW302 1.6 23.8 0.7
O31 A:TEW302 1.7 28.8 0.7
O14 A:TEW302 1.9 29.7 0.7
O20 A:TEW302 2.0 31.4 0.7
O13 A:TEW302 2.2 31.9 0.7
O11 A:TEW302 2.3 32.0 0.7
W3 A:TEW302 3.3 31.5 0.7
W5 A:TEW302 3.3 30.9 0.7
TE1 A:TEW302 3.4 32.2 0.7
O12 A:TEW302 3.6 30.0 0.7
O16 A:TEW302 3.7 29.4 0.7
O22 A:TEW302 3.8 29.2 0.7
O2 A:TEW302 4.0 35.4 0.7
CE2 B:PHE153 4.1 33.8 1.0
CE1 A:HIS243 4.1 42.8 1.0
CA B:GLY151 4.4 35.5 1.0
O21 A:TEW302 4.4 30.3 0.7
O15 A:TEW302 4.5 35.8 0.7
CZ B:PHE153 4.5 32.9 1.0
ND1 A:HIS243 4.7 39.8 1.0
O4 A:TEW302 4.7 28.1 0.7
O1 A:TEW302 4.8 26.9 0.7
N B:GLY151 4.8 37.0 1.0
O17 A:TEW302 4.8 32.2 0.7
O7 A:TEW302 4.8 30.0 0.7
NE2 A:HIS243 5.0 41.3 1.0

Reference:

J.Skacel, S.Djukic. Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Pnp Inhibitors To Be Published.
Page generated: Sat Oct 12 15:42:26 2024

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