Tungsten in PDB 6qsh: Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin

The structure of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin, PDB code: 6qsh was solved by H.Noguchi, L.Vandebroek, K.Kamata, J.R.H.Tame, L.Van Meervelt, T.N.Parac-Vogt, A.R.D.Voet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.37 / 2.50
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.367, 67.258, 69.680, 90.00, 90.00, 90.00
R / Rfree (%)	25.8 / 32.3

The structure of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin also contains other interesting chemical elements:

Cerium

(Ce)

4 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60; Page 7, Binding sites: 61 - 70; Page 8, Binding sites: 71 - 80; Page 9, Binding sites: 81 - 88;

Binding sites:

The binding sites of Tungsten atom in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin (pdb code 6qsh). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 88 binding sites of Tungsten where determined in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin, PDB code: 6qsh:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 88 in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:50.6 occ:1.00 W12 A:JGH401 0.0 50.6 1.0 O12 A:JGH401 1.7 60.3 1.0 O44 A:JGH401 1.8 16.4 1.0 O42 A:JGH401 1.9 18.6 1.0 O51 A:JGH401 2.0 85.5 1.0 O52 A:JGH401 2.0 61.4 1.0 O28 A:JGH401 2.4 32.6 1.0 W17 A:JGH401 3.4 38.8 1.0 W18 A:JGH401 3.4 38.1 1.0 O43 A:JGH401 3.5 45.4 1.0 P2 A:JGH401 3.5 20.0 1.0 O60 A:JGH401 3.7 42.7 1.0 W14 A:JGH401 3.7 45.0 1.0 W13 A:JGH401 3.8 45.2 1.0 O61 A:JGH401 3.8 10.6 1.0 O27 A:JGH401 3.8 25.8 1.0 O59 A:JGH401 3.9 5.5 1.0 O29 A:JGH401 3.9 56.8 1.0 O50 A:JGH401 4.3 99.1 1.0 O53 A:JGH401 4.4 84.7 1.0 O13 A:JGH401 4.5 47.7 1.0 CA A:GLY210 4.6 34.4 1.0 O14 A:JGH401 4.6 82.8 1.0 O17 A:JGH401 4.7 50.9 1.0 O18 A:JGH401 4.7 17.8 1.0 O70 A:JGH401 4.8 5.2 1.0 O69 A:JGH401 4.9 5.2 1.0 O30 A:JGH401 4.9 12.3 1.0

Tungsten binding site 2 out of 88 in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:45.2 occ:1.00 W13 A:JGH401 0.0 45.2 1.0 O13 A:JGH401 1.7 47.7 1.0 O38 A:JGH401 1.8 45.1 1.0 O43 A:JGH401 1.9 45.4 1.0 O50 A:JGH401 1.9 99.1 1.0 O44 A:JGH401 2.1 16.4 1.0 O27 A:JGH401 2.3 25.8 1.0 W19 A:JGH401 3.4 39.2 1.0 P2 A:JGH401 3.5 20.0 1.0 O37 A:JGH401 3.7 18.4 1.0 W14 A:JGH401 3.7 45.0 1.0 O42 A:JGH401 3.8 18.6 1.0 W12 A:JGH401 3.8 50.6 1.0 O35 A:JGH401 3.9 12.3 1.0 O29 A:JGH401 3.9 56.8 1.0 O59 A:JGH401 3.9 5.5 1.0 O28 A:JGH401 4.0 32.6 1.0 CE1 A:JGH401 4.0 30.6 1.0 O36E A:JGH401 4.3 79.0 1.0 O20E A:JGH401 4.4 45.6 1.0 O54 A:JGH401 4.4 57.0 1.0 O51 A:JGH401 4.6 85.5 1.0 O35E A:JGH401 4.6 31.1 1.0 O14 A:JGH401 4.6 82.8 1.0 O12 A:JGH401 4.7 60.3 1.0 O19 A:JGH401 4.7 51.3 1.0 O15E A:JGH401 4.8 32.2 1.0 O30 A:JGH401 4.9 12.3 1.0 O68 A:JGH401 4.9 16.3 1.0 W15 A:JGH401 5.0 33.1 1.0

Tungsten binding site 3 out of 88 in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:45.0 occ:1.00 W14 A:JGH401 0.0 45.0 1.0 O14 A:JGH401 1.7 82.8 1.0 O54 A:JGH401 1.9 57.0 1.0 O43 A:JGH401 1.9 45.4 1.0 O42 A:JGH401 2.0 18.6 1.0 O53 A:JGH401 2.0 84.7 1.0 O29 A:JGH401 2.4 56.8 1.0 W16 A:JGH401 3.4 39.1 1.0 W15 A:JGH401 3.4 33.1 1.0 P2 A:JGH401 3.6 20.0 1.0 O62 A:JGH401 3.6 16.3 1.0 O44 A:JGH401 3.6 16.4 1.0 W12 A:JGH401 3.7 50.6 1.0 W13 A:JGH401 3.7 45.2 1.0 O61 A:JGH401 3.8 10.6 1.0 O27 A:JGH401 3.9 25.8 1.0 O35 A:JGH401 3.9 12.3 1.0 O28 A:JGH401 3.9 32.6 1.0 O52 A:JGH401 4.4 61.4 1.0 O38 A:JGH401 4.5 45.1 1.0 O12 A:JGH401 4.6 60.3 1.0 O13 A:JGH401 4.6 47.7 1.0 O16 A:JGH401 4.6 63.4 1.0 O15 A:JGH401 4.7 56.9 1.0 O71 A:JGH401 4.8 51.3 1.0 O30 A:JGH401 4.9 12.3 1.0 O72 A:JGH401 4.9 62.0 1.0 CA A:GLY210 5.0 34.4 1.0

Tungsten binding site 4 out of 88 in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:33.1 occ:1.00 W15 A:JGH401 0.0 33.1 1.0 O15 A:JGH401 1.7 56.9 1.0 O35 A:JGH401 1.8 12.3 1.0 O72 A:JGH401 2.0 62.0 1.0 O54 A:JGH401 2.0 57.0 1.0 O62 A:JGH401 2.1 16.3 1.0 O29 A:JGH401 2.5 56.8 1.0 W14 A:JGH401 3.4 45.0 1.0 W16 A:JGH401 3.5 39.1 1.0 P2 A:JGH401 3.6 20.0 1.0 W20 A:JGH401 3.6 37.9 1.0 O36 A:JGH401 3.7 33.2 1.0 O53 A:JGH401 3.7 84.7 1.0 O43 A:JGH401 3.9 45.4 1.0 O30 A:JGH401 3.9 12.3 1.0 O27 A:JGH401 3.9 25.8 1.0 O71 A:JGH401 3.9 51.3 1.0 CE1 A:JGH401 4.1 30.6 1.0 O78 A:JGH401 4.4 14.2 1.0 O38 A:JGH401 4.5 45.1 1.0 O38E A:JGH401 4.6 38.7 1.0 O20 A:JGH401 4.6 5.2 1.0 O14 A:JGH401 4.6 82.8 1.0 O16 A:JGH401 4.8 63.4 1.0 O28 A:JGH401 4.9 32.6 1.0 O42 A:JGH401 5.0 18.6 1.0 O61 A:JGH401 5.0 10.6 1.0 W13 A:JGH401 5.0 45.2 1.0

Tungsten binding site 5 out of 88 in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:39.1 occ:1.00 W16 A:JGH401 0.0 39.1 1.0 O16 A:JGH401 1.7 63.4 1.0 O62 A:JGH401 1.9 16.3 1.0 O53 A:JGH401 1.9 84.7 1.0 O71 A:JGH401 1.9 51.3 1.0 O61 A:JGH401 1.9 10.6 1.0 O29 A:JGH401 2.5 56.8 1.0 W14 A:JGH401 3.4 45.0 1.0 W15 A:JGH401 3.5 33.1 1.0 O54 A:JGH401 3.6 57.0 1.0 P2 A:JGH401 3.6 20.0 1.0 O70 A:JGH401 3.7 5.2 1.0 W21 A:JGH401 3.7 34.3 1.0 W17 A:JGH401 3.7 38.8 1.0 O72 A:JGH401 3.8 62.0 1.0 O42 A:JGH401 3.9 18.6 1.0 O28 A:JGH401 3.9 32.6 1.0 O30 A:JGH401 4.0 12.3 1.0 O52 A:JGH401 4.4 61.4 1.0 O78 A:JGH401 4.4 14.2 1.0 CA A:GLY210 4.4 34.4 1.0 CG A:PRO176 4.5 27.0 1.0 O17 A:JGH401 4.6 50.9 1.0 O14 A:JGH401 4.6 82.8 1.0 O21 A:JGH401 4.6 13.0 1.0 O15 A:JGH401 4.7 56.9 1.0 C A:GLY210 4.8 42.8 1.0 O43 A:JGH401 4.9 45.4 1.0 O27 A:JGH401 4.9 25.8 1.0 O35 A:JGH401 5.0 12.3 1.0

Tungsten binding site 6 out of 88 in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:38.8 occ:1.00 W17 A:JGH401 0.0 38.8 1.0 O17 A:JGH401 1.7 50.9 1.0 O70 A:JGH401 1.9 5.2 1.0 O52 A:JGH401 1.9 61.4 1.0 O61 A:JGH401 1.9 10.6 1.0 O60 A:JGH401 1.9 42.7 1.0 O28 A:JGH401 2.4 32.6 1.0 W12 A:JGH401 3.4 50.6 1.0 W18 A:JGH401 3.4 38.1 1.0 O51 A:JGH401 3.5 85.5 1.0 P2 A:JGH401 3.6 20.0 1.0 O71 A:JGH401 3.6 51.3 1.0 N A:GLY210 3.7 46.0 1.0 W16 A:JGH401 3.7 39.1 1.0 W21 A:JGH401 3.7 34.3 1.0 O42 A:JGH401 3.8 18.6 1.0 O69 A:JGH401 3.8 5.2 1.0 O29 A:JGH401 3.9 56.8 1.0 O30 A:JGH401 4.0 12.3 1.0 CA A:GLY210 4.0 34.4 1.0 NZ A:LYS164 4.3 4.3 1.0 O53 A:JGH401 4.3 84.7 1.0 O77 A:JGH401 4.4 59.1 1.0 O16 A:JGH401 4.6 63.4 1.0 O21 A:JGH401 4.6 13.0 1.0 O18 A:JGH401 4.7 17.8 1.0 O12 A:JGH401 4.7 60.3 1.0 C A:ALA209 4.8 51.4 1.0 O44 A:JGH401 4.8 16.4 1.0 O59 A:JGH401 4.8 5.5 1.0 O27 A:JGH401 4.9 25.8 1.0 O A:HOH504 4.9 12.8 1.0

Tungsten binding site 7 out of 88 in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:38.1 occ:1.00 W18 A:JGH401 0.0 38.1 1.0 O18 A:JGH401 1.7 17.8 1.0 O59 A:JGH401 1.9 5.5 1.0 O51 A:JGH401 1.9 85.5 1.0 O69 A:JGH401 1.9 5.2 1.0 O60 A:JGH401 2.0 42.7 1.0 O28 A:JGH401 2.4 32.6 1.0 W12 A:JGH401 3.4 50.6 1.0 W17 A:JGH401 3.4 38.8 1.0 O A:HOH504 3.5 12.8 1.0 P2 A:JGH401 3.6 20.0 1.0 O68 A:JGH401 3.6 16.3 1.0 O52 A:JGH401 3.6 61.4 1.0 W22 A:JGH401 3.7 33.8 1.0 W19 A:JGH401 3.8 39.2 1.0 O70 A:JGH401 3.8 5.2 1.0 O44 A:JGH401 3.8 16.4 1.0 O27 A:JGH401 3.9 25.8 1.0 O30 A:JGH401 3.9 12.3 1.0 NZ A:LYS164 4.3 4.3 1.0 O50 A:JGH401 4.3 99.1 1.0 O77 A:JGH401 4.4 59.1 1.0 O19 A:JGH401 4.5 51.3 1.0 O22 A:JGH401 4.6 43.2 1.0 O17 A:JGH401 4.7 50.9 1.0 O12 A:JGH401 4.7 60.3 1.0 O42 A:JGH401 4.9 18.6 1.0 O61 A:JGH401 4.9 10.6 1.0 O29 A:JGH401 4.9 56.8 1.0

Tungsten binding site 8 out of 88 in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:39.2 occ:1.00 W19 A:JGH401 0.0 39.2 1.0 O19 A:JGH401 1.7 51.3 1.0 O37 A:JGH401 1.8 18.4 1.0 O50 A:JGH401 1.9 99.1 1.0 O68 A:JGH401 2.0 16.3 1.0 O59 A:JGH401 2.0 5.5 1.0 O27 A:JGH401 2.4 25.8 1.0 W13 A:JGH401 3.4 45.2 1.0 P2 A:JGH401 3.5 20.0 1.0 O38 A:JGH401 3.7 45.1 1.0 W22 A:JGH401 3.7 33.8 1.0 O69 A:JGH401 3.8 5.2 1.0 W18 A:JGH401 3.8 38.1 1.0 O30 A:JGH401 3.9 12.3 1.0 O44 A:JGH401 3.9 16.4 1.0 O36 A:JGH401 4.0 33.2 1.0 O28 A:JGH401 4.0 32.6 1.0 CE1 A:JGH401 4.0 30.6 1.0 O A:HOH510 4.1 13.8 1.0 O36E A:JGH401 4.1 79.0 1.0 O76 A:JGH401 4.4 9.6 1.0 O51 A:JGH401 4.5 85.5 1.0 O A:HOH503 4.6 47.2 1.0 O22 A:JGH401 4.7 43.2 1.0 O37E A:JGH401 4.7 51.7 1.0 O13 A:JGH401 4.7 47.7 1.0 O18 A:JGH401 4.8 17.8 1.0 O43 A:JGH401 4.8 45.4 1.0 O20E A:JGH401 4.8 45.6 1.0 O29 A:JGH401 4.9 56.8 1.0 W20 A:JGH401 5.0 37.9 1.0 O35 A:JGH401 5.0 12.3 1.0

Tungsten binding site 9 out of 88 in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:37.9 occ:1.00 W20 A:JGH401 0.0 37.9 1.0 O20 A:JGH401 1.8 5.2 1.0 O36 A:JGH401 1.8 33.2 1.0 O72 A:JGH401 1.9 62.0 1.0 O76 A:JGH401 2.0 9.6 1.0 O78 A:JGH401 2.0 14.2 1.0 O30 A:JGH401 2.4 12.3 1.0 W22 A:JGH401 3.5 33.8 1.0 W21 A:JGH401 3.5 34.3 1.0 P2 A:JGH401 3.6 20.0 1.0 W15 A:JGH401 3.6 33.1 1.0 O35 A:JGH401 3.7 12.3 1.0 O77 A:JGH401 3.7 59.1 1.0 O A:HOH510 3.7 13.8 1.0 O68 A:JGH401 3.9 16.3 1.0 O29 A:JGH401 3.9 56.8 1.0 O71 A:JGH401 3.9 51.3 1.0 O27 A:JGH401 4.0 25.8 1.0 OG1 A:THR173 4.2 24.9 1.0 CE1 A:JGH401 4.2 30.6 1.0 O62 A:JGH401 4.4 16.3 1.0 O37 A:JGH401 4.5 18.4 1.0 O15 A:JGH401 4.5 56.9 1.0 O37E A:JGH401 4.7 51.7 1.0 O38E A:JGH401 4.7 38.7 1.0 O21 A:JGH401 4.8 13.0 1.0 O22 A:JGH401 4.8 43.2 1.0 O70 A:JGH401 4.9 5.2 1.0 O28 A:JGH401 4.9 32.6 1.0 O69 A:JGH401 4.9 5.2 1.0 W19 A:JGH401 5.0 39.2 1.0

Tungsten binding site 10 out of 88 in the Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:34.3 occ:1.00 W21 A:JGH401 0.0 34.3 1.0 O21 A:JGH401 1.7 13.0 1.0 O71 A:JGH401 1.9 51.3 1.0 O78 A:JGH401 1.9 14.2 1.0 O77 A:JGH401 2.0 59.1 1.0 O70 A:JGH401 2.0 5.2 1.0 O30 A:JGH401 2.5 12.3 1.0 W22 A:JGH401 3.4 33.8 1.0 W20 A:JGH401 3.5 37.9 1.0 O76 A:JGH401 3.6 9.6 1.0 NZ A:LYS164 3.6 4.3 1.0 P2 A:JGH401 3.6 20.0 1.0 W16 A:JGH401 3.7 39.1 1.0 O61 A:JGH401 3.7 10.6 1.0 W17 A:JGH401 3.7 38.8 1.0 O72 A:JGH401 3.7 62.0 1.0 O69 A:JGH401 3.9 5.2 1.0 O29 A:JGH401 3.9 56.8 1.0 O28 A:JGH401 3.9 32.6 1.0 O62 A:JGH401 4.3 16.3 1.0 CG2 A:THR173 4.4 4.3 1.0 O60 A:JGH401 4.4 42.7 1.0 O17 A:JGH401 4.6 50.9 1.0 CD A:PRO176 4.6 12.1 1.0 O16 A:JGH401 4.6 63.4 1.0 O20 A:JGH401 4.7 5.2 1.0 OG1 A:THR173 4.7 24.9 1.0 O22 A:JGH401 4.7 43.2 1.0 CE A:LYS164 4.7 34.9 1.0 O68 A:JGH401 4.9 16.3 1.0 CG A:PRO176 4.9 27.0 1.0 O36 A:JGH401 4.9 33.2 1.0 O27 A:JGH401 5.0 25.8 1.0 O A:VAL174 5.0 19.2 1.0

H.Noguchi, L.Vandebroek, K.Kamata, J.R.H.Tame, L.Van Meervelt, T.N.Parac-Vogt, A.R.D.Voet. Crystal Structure of the Hybrid Bioinorganic Complex of PIZZA6S Linked By the 1:2 Ce-Substituted Keggin To Be Published.