Tungsten in PDB 7zsp: 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;

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

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

Sodium	(Na)	1 atom
Fluorine	(F)	5 atoms
Tellurium	(Te)	3 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Tungsten 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 Tungsten atom.
In total 18 binding sites of Tungsten where determined in the Human Purine Nucleoside Phosphorylase in Complex with Js-555, PDB code: 7zsp:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 18 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:152.2 occ:0.33 W1 A:TEW302 0.0 152.2 0.3 O6 A:TEW302 1.7 147.5 0.3 O5 A:TEW302 1.7 139.4 0.3 O4 A:TEW302 1.9 139.2 0.3 O3 A:TEW302 1.9 145.4 0.3 O1 A:TEW302 2.3 146.7 0.3 O2 A:TEW302 2.3 139.8 0.3 TE1 A:TEW302 3.2 159.3 0.3 W2 A:TEW302 3.3 136.3 0.3 W3 A:TEW302 3.3 113.7 0.3 O15 A:TEW302 3.6 132.4 0.3 O7 A:TEW302 3.6 155.9 0.3 O8 A:TEW302 3.7 142.2 0.3 O13 A:TEW302 3.9 146.6 0.3 NZ A:LYS95 4.3 87.2 1.0 O16 A:TEW302 4.5 133.8 0.3 O9 A:TEW302 4.5 146.9 0.3 O14 A:TEW302 4.7 148.3 0.3 O10 A:TEW302 4.7 153.9 0.3 O11 A:TEW302 4.8 158.7 0.3 O12 A:TEW302 4.9 162.7 0.3 CE A:LYS95 5.0 77.7 1.0

Tungsten binding site 2 out of 18 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:136.3 occ:0.33 W2 A:TEW302 0.0 136.3 0.3 O9 A:TEW302 1.7 146.9 0.3 O8 A:TEW302 1.7 142.2 0.3 O10 A:TEW302 1.9 153.9 0.3 O3 A:TEW302 1.9 145.4 0.3 O7 A:TEW302 2.2 155.9 0.3 O1 A:TEW302 2.3 146.7 0.3 W4 A:TEW302 3.2 171.9 0.3 TE1 A:TEW302 3.2 159.3 0.3 W1 A:TEW302 3.3 152.2 0.3 NZ A:LYS95 3.5 87.2 1.0 O19 A:TEW302 3.6 161.1 0.3 O6 A:TEW302 3.6 147.5 0.3 O12 A:TEW302 3.7 162.7 0.3 O2 A:TEW302 3.9 139.8 0.3 O A:HOH402 4.0 79.5 1.0 CE A:LYS95 4.5 77.7 1.0 O18 A:TEW302 4.5 165.8 0.3 O5 A:TEW302 4.6 139.4 0.3 O4 A:TEW302 4.6 139.2 0.3 O17 A:TEW302 4.6 166.3 0.3 O13 A:TEW302 4.8 146.6 0.3 O11 A:TEW302 4.9 158.7 0.3

Tungsten binding site 3 out of 18 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:113.7 occ:0.33 W3 A:TEW302 0.0 113.7 0.3 O15 A:TEW302 1.7 132.4 0.3 O16 A:TEW302 1.7 133.8 0.3 O14 A:TEW302 1.9 148.3 0.3 O4 A:TEW302 2.0 139.2 0.3 O2 A:TEW302 2.3 139.8 0.3 O13 A:TEW302 2.3 146.6 0.3 TE1 A:TEW302 3.3 159.3 0.3 W1 A:TEW302 3.3 152.2 0.3 W6 A:TEW302 3.3 161.0 0.3 O1 A:TEW302 3.7 146.7 0.3 N A:ARG58 3.7 74.1 1.0 O5 A:TEW302 3.8 139.4 0.3 O11 A:TEW302 3.8 158.7 0.3 O31 A:TEW302 3.8 160.6 0.3 CB A:ARG58 3.9 84.5 1.0 CA A:ARG58 4.4 83.3 1.0 O6 A:TEW302 4.5 147.5 0.3 O23 A:TEW302 4.6 155.6 0.3 O A:ARG58 4.6 91.5 1.0 C A:PRO57 4.7 71.2 1.0 CA A:PRO57 4.8 65.5 1.0 O3 A:TEW302 4.8 145.4 0.3 O20 A:TEW302 4.8 162.3 0.3 O7 A:TEW302 4.9 155.9 0.3 O12 A:TEW302 4.9 162.7 0.3

Tungsten binding site 4 out of 18 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:171.9 occ:0.33 W4 A:TEW302 0.0 171.9 0.3 O18 A:TEW302 1.7 165.8 0.3 O19 A:TEW302 1.7 161.1 0.3 O10 A:TEW302 1.9 153.9 0.3 O17 A:TEW302 2.0 166.3 0.3 O12 A:TEW302 2.3 162.7 0.3 O7 A:TEW302 2.3 155.9 0.3 W2 A:TEW302 3.2 136.3 0.3 W5 A:TEW302 3.3 182.5 0.3 TE1 A:TEW302 3.3 159.3 0.3 O9 A:TEW302 3.5 146.9 0.3 O21 A:TEW302 3.7 169.3 0.3 O11 A:TEW302 3.9 158.7 0.3 O1 A:TEW302 3.9 146.7 0.3 NZ A:LYS95 4.5 87.2 1.0 O8 A:TEW302 4.5 142.2 0.3 O3 A:TEW302 4.6 145.4 0.3 O22 A:TEW302 4.6 169.9 0.3 CE A:LYS95 4.6 77.7 1.0 O20 A:TEW302 4.7 162.3 0.3 O13 A:TEW302 4.9 146.6 0.3 O2 A:TEW302 4.9 139.8 0.3

Tungsten binding site 5 out of 18 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:182.5 occ:0.33 W5 A:TEW302 0.0 182.5 0.3 O22 A:TEW302 1.7 169.9 0.3 O21 A:TEW302 1.7 169.3 0.3 O17 A:TEW302 1.9 166.3 0.3 O20 A:TEW302 2.0 162.3 0.3 O11 A:TEW302 2.3 158.7 0.3 O12 A:TEW302 2.3 162.7 0.3 TE1 A:TEW302 3.3 159.3 0.3 W4 A:TEW302 3.3 171.9 0.3 W6 A:TEW302 3.3 161.0 0.3 O23 A:TEW302 3.6 155.6 0.3 O18 A:TEW302 3.7 165.8 0.3 O7 A:TEW302 3.8 155.9 0.3 O13 A:TEW302 3.9 146.6 0.3 O19 A:TEW302 4.6 161.1 0.3 O31 A:TEW302 4.6 160.6 0.3 O10 A:TEW302 4.6 153.9 0.3 CA A:ASN55 4.7 57.8 1.0 O14 A:TEW302 4.7 148.3 0.3 O2 A:TEW302 4.8 139.8 0.3 O A:ASN55 4.8 65.1 1.0 C A:ASN55 4.9 59.5 1.0 O1 A:TEW302 5.0 146.7 0.3

Tungsten binding site 6 out of 18 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:161.0 occ:0.33 W6 A:TEW302 0.0 161.0 0.3 O31 A:TEW302 1.7 160.6 0.3 O23 A:TEW302 1.7 155.6 0.3 O14 A:TEW302 1.9 148.3 0.3 O20 A:TEW302 1.9 162.3 0.3 O13 A:TEW302 2.2 146.6 0.3 O11 A:TEW302 2.3 158.7 0.3 TE1 A:TEW302 3.3 159.3 0.3 W5 A:TEW302 3.3 182.5 0.3 W3 A:TEW302 3.3 113.7 0.3 O12 A:TEW302 3.7 162.7 0.3 O22 A:TEW302 3.8 169.9 0.3 O2 A:TEW302 3.8 139.8 0.3 O A:PHE56 3.8 73.3 1.0 O16 A:TEW302 3.9 133.8 0.3 O21 A:TEW302 4.5 169.3 0.3 C A:PHE56 4.6 64.5 1.0 O15 A:TEW302 4.6 132.4 0.3 CA A:PRO57 4.7 65.5 1.0 O1 A:TEW302 4.8 146.7 0.3 N A:ARG58 4.8 74.1 1.0 O4 A:TEW302 4.8 139.2 0.3 O17 A:TEW302 4.8 166.3 0.3 O7 A:TEW302 4.9 155.9 0.3 C A:ASN55 4.9 59.5 1.0 N A:PRO57 4.9 71.7 1.0 N A:PHE56 4.9 58.9 1.0

Tungsten binding site 7 out of 18 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 7 of Human Purine Nucleoside Phosphorylase in Complex with Js-555 within 5.0Å range: probe atom residue distance (Å) B Occ A:W303 b:116.0 occ:0.30 W1 A:TEW303 0.0 116.0 0.3 O6 A:TEW303 1.7 125.2 0.3 O5 A:TEW303 1.7 126.5 0.3 O4 A:TEW303 1.9 134.8 0.3 O3 A:TEW303 1.9 135.8 0.3 O1 A:TEW303 2.3 138.2 0.3 O2 A:TEW303 2.3 137.6 0.3 TE1 A:TEW303 3.3 141.5 0.3 W2 A:TEW303 3.3 147.5 0.3 W3 A:TEW303 3.3 146.0 0.3 O8 A:TEW303 3.6 138.6 0.3 O15 A:TEW303 3.7 140.1 0.3 O7 A:TEW303 3.8 145.1 0.3 O13 A:TEW303 3.8 144.6 0.3 NH1 A:ARG207 3.9 83.5 1.0 NH2 A:ARG207 4.2 91.7 1.0 O16 A:TEW303 4.5 140.1 0.3 CZ A:ARG207 4.5 91.2 1.0 O9 A:TEW303 4.6 139.0 0.3 CD2 A:TYR249 4.6 73.2 1.0 O10 A:TEW303 4.7 147.3 0.3 O14 A:TEW303 4.8 147.1 0.3 O11 A:TEW303 4.9 147.7 0.3 CE2 A:TYR249 4.9 80.0 1.0 O12 A:TEW303 4.9 146.3 0.3

Tungsten binding site 8 out of 18 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 8 of Human Purine Nucleoside Phosphorylase in Complex with Js-555 within 5.0Å range: probe atom residue distance (Å) B Occ A:W303 b:147.5 occ:0.30 W2 A:TEW303 0.0 147.5 0.3 O9 A:TEW303 1.7 139.0 0.3 O8 A:TEW303 1.7 138.6 0.3 O10 A:TEW303 1.9 147.3 0.3 O3 A:TEW303 1.9 135.8 0.3 O7 A:TEW303 2.2 145.1 0.3 O1 A:TEW303 2.3 138.2 0.3 W4 A:TEW303 3.3 152.2 0.3 TE1 A:TEW303 3.3 141.5 0.3 W1 A:TEW303 3.3 116.0 0.3 O19 A:TEW303 3.6 143.9 0.3 O6 A:TEW303 3.7 125.2 0.3 O12 A:TEW303 3.8 146.3 0.3 O2 A:TEW303 3.8 137.6 0.3 O5 A:TEW303 4.5 126.5 0.3 O18 A:TEW303 4.6 142.7 0.3 O17 A:TEW303 4.7 149.1 0.3 O4 A:TEW303 4.7 134.8 0.3 O13 A:TEW303 4.9 144.6 0.3 O11 A:TEW303 4.9 147.7 0.3

Tungsten binding site 9 out of 18 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 9 of Human Purine Nucleoside Phosphorylase in Complex with Js-555 within 5.0Å range: probe atom residue distance (Å) B Occ A:W303 b:146.0 occ:0.30 W3 A:TEW303 0.0 146.0 0.3 O15 A:TEW303 1.7 140.1 0.3 O16 A:TEW303 1.7 140.1 0.3 O14 A:TEW303 1.9 147.1 0.3 O4 A:TEW303 2.0 134.8 0.3 O2 A:TEW303 2.3 137.6 0.3 O13 A:TEW303 2.3 144.6 0.3 W6 A:TEW303 3.3 150.1 0.3 W1 A:TEW303 3.3 116.0 0.3 TE1 A:TEW303 3.3 141.5 0.3 N A:TYR249 3.6 75.5 1.0 O5 A:TEW303 3.7 126.5 0.3 O31 A:TEW303 3.8 148.1 0.3 O11 A:TEW303 3.8 147.7 0.3 O1 A:TEW303 3.8 138.2 0.3 NH2 A:ARG207 4.1 91.7 1.0 CB A:ASP248 4.1 82.1 1.0 CD2 A:TYR249 4.2 73.2 1.0 CB A:TYR249 4.2 81.5 1.0 CA A:TYR249 4.4 84.2 1.0 CA A:ASP248 4.4 70.7 1.0 N A:GLU250 4.5 107.5 1.0 C A:ASP248 4.5 72.6 1.0 O23 A:TEW303 4.6 142.3 0.3 O6 A:TEW303 4.6 125.2 0.3 CG A:TYR249 4.7 75.7 1.0 O3 A:TEW303 4.8 135.8 0.3 C A:TYR249 4.8 92.2 1.0 O20 A:TEW303 4.8 150.4 0.3 O7 A:TEW303 4.9 145.1 0.3 O12 A:TEW303 4.9 146.3 0.3

Tungsten binding site 10 out of 18 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 10 of Human Purine Nucleoside Phosphorylase in Complex with Js-555 within 5.0Å range: probe atom residue distance (Å) B Occ A:W303 b:152.2 occ:0.30 W4 A:TEW303 0.0 152.2 0.3 O18 A:TEW303 1.7 142.7 0.3 O19 A:TEW303 1.7 143.9 0.3 O10 A:TEW303 1.9 147.3 0.3 O17 A:TEW303 2.0 149.1 0.3 O12 A:TEW303 2.3 146.3 0.3 O7 A:TEW303 2.3 145.1 0.3 W2 A:TEW303 3.3 147.5 0.3 W5 A:TEW303 3.3 155.0 0.3 TE1 A:TEW303 3.3 141.5 0.3 O9 A:TEW303 3.6 139.0 0.3 O21 A:TEW303 3.7 148.6 0.3 O1 A:TEW303 3.9 138.2 0.3 O11 A:TEW303 3.9 147.7 0.3 O8 A:TEW303 4.5 138.6 0.3 O22 A:TEW303 4.6 148.0 0.3 O20 A:TEW303 4.7 150.4 0.3 O3 A:TEW303 4.7 135.8 0.3 O13 A:TEW303 4.9 144.6 0.3 O2 A:TEW303 4.9 137.6 0.3

J.Skacel, S.Djukic. Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Pnp Inhibitors To Be Published.