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Tungsten in PDB 7ov7: The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin

Protein crystallography data

The structure of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin, PDB code: 7ov7 was solved by L.Vandebroek, H.Noguchi, A.Anyushin, L.Van Meervelt, A.R.D.Voet, T.N.Parac-Vogt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.21 / 1.80
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 65.792, 74.15, 79.733, 90, 90, 90
R / Rfree (%) 23.2 / 28.7

Other elements in 7ov7:

The structure of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin also contains other interesting chemical elements:

Potassium (K) 6 atoms
Copper (Cu) 6 atoms

Tungsten Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Tungsten atom in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin (pdb code 7ov7). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 36 binding sites of Tungsten where determined in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin, PDB code: 7ov7:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 36 in 7ov7

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Tungsten binding site 1 out of 36 in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W307

b:38.4
occ:0.47
W1 A:PW9307 0.0 38.4 0.5
W2 A:PW9307 0.5 38.4 0.5
O3 A:PW9307 1.5 38.4 0.5
O12 A:PW9307 1.6 38.4 0.5
O7 A:PW9307 1.8 38.4 0.5
O10 A:PW9307 1.8 38.4 0.5
O8 A:PW9307 1.9 38.4 0.5
O9 A:PW9307 1.9 38.4 0.5
O18 A:PW9307 2.0 38.4 0.5
O20 A:PW9307 2.0 38.4 0.5
O21 A:PW9307 2.1 38.4 0.5
O1 A:PW9307 2.1 38.4 0.5
O4 A:PW9307 2.3 38.4 0.5
O8 A:PW9307 2.4 38.4 0.5
W4 A:PW9307 3.1 38.4 0.5
O16 A:PW9307 3.3 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
W2 A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
W3 A:PW9307 3.6 38.4 0.5
W5E A:PW9307 3.6 38.4 0.5
O2 A:PW9307 3.7 38.4 0.5
O1 A:PW9307 3.7 38.4 0.5
W3 A:PW9307 3.8 38.4 0.5
O2E A:PW9307 3.8 38.4 0.5
CU A:CU301 3.8 23.4 1.0
O22 A:PW9307 3.9 38.4 0.5
O21 A:PW9307 3.9 38.4 0.5
O4 A:PW9307 3.9 38.4 0.5
O22 A:PW9307 4.0 38.4 0.5
W1 A:PW9307 4.0 38.4 0.5
O9 A:PW9307 4.0 38.4 0.5
O23E A:PW9307 4.0 38.4 0.5
O14 A:PW9307 4.1 38.4 0.5
CE1 A:HIS115 4.1 34.4 1.0
O7 A:PW9307 4.1 38.4 0.5
O17 A:PW9307 4.1 38.4 0.5
NE2 B:HIS31 4.2 26.5 1.0
O15 A:PW9307 4.3 38.4 0.5
O18 A:PW9307 4.3 38.4 0.5
NE2 A:HIS115 4.5 30.2 1.0
CE1 B:HIS31 4.5 26.0 1.0
O18E A:PW9307 4.6 38.4 0.5
O11 A:PW9307 4.6 38.4 0.5
O13E A:PW9307 4.6 38.4 0.5
O10 A:PW9307 4.7 38.4 0.5
O19E A:PW9307 4.7 38.4 0.5
O11 A:PW9307 4.8 38.4 0.5
CD2 B:HIS31 4.8 25.8 1.0
O19E A:PW9307 4.8 38.4 0.5
W5 A:PW9307 4.9 38.4 0.5

Tungsten binding site 2 out of 36 in 7ov7

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Tungsten binding site 2 out of 36 in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W307

b:38.4
occ:0.53
W1 A:PW9307 0.0 38.4 0.5
W5E A:PW9307 0.5 38.4 0.5
O15E A:PW9307 1.4 38.4 0.5
O12 A:PW9307 1.6 38.4 0.5
O23E A:PW9307 1.7 38.4 0.5
O13E A:PW9307 1.8 38.4 0.5
O8 A:PW9307 1.9 38.4 0.5
O9 A:PW9307 1.9 38.4 0.5
O18 A:PW9307 2.0 38.4 0.5
O20 A:PW9307 2.0 38.4 0.5
O2E A:PW9307 2.1 38.4 0.5
O20 A:PW9307 2.3 38.4 0.5
O4 A:PW9307 2.3 38.4 0.5
O4 A:PW9307 2.7 38.4 0.5
W3E A:PW9307 3.1 38.4 0.5
O17E A:PW9307 3.1 38.4 0.5
W6 A:PW9307 3.3 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
W2 A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.6 38.4 0.5
W5E A:PW9307 3.6 38.4 0.5
W3 A:PW9307 3.6 38.4 0.5
O1E A:PW9307 3.7 38.4 0.5
O1 A:PW9307 3.7 38.4 0.5
O2E A:PW9307 3.8 38.4 0.5
O19E A:PW9307 3.8 38.4 0.5
O21 A:PW9307 3.9 38.4 0.5
O23E A:PW9307 4.0 38.4 0.5
O22 A:PW9307 4.0 38.4 0.5
W1 A:PW9307 4.0 38.4 0.5
O22 A:PW9307 4.0 38.4 0.5
O18 A:PW9307 4.0 38.4 0.5
O17 A:PW9307 4.0 38.4 0.5
O11E A:PW9307 4.1 38.4 0.5
O7 A:PW9307 4.1 38.4 0.5
CU A:CU302 4.1 26.9 1.0
O17 A:PW9307 4.1 38.4 0.5
CE1 A:HIS157 4.2 34.8 1.0
O5 A:PW9307 4.3 38.4 0.5
O9 A:PW9307 4.3 38.4 0.5
NE2 B:HIS241 4.4 32.5 1.0
O9E A:PW9307 4.6 38.4 0.5
O11 A:PW9307 4.6 38.4 0.5
O13E A:PW9307 4.6 38.4 0.5
O10 A:PW9307 4.7 38.4 0.5
NE2 A:HIS157 4.7 29.4 1.0
CE1 B:HIS241 4.8 37.1 1.0
O19E A:PW9307 4.9 38.4 0.5
CE1 B:HIS199 4.9 36.0 1.0
CD2 B:HIS241 4.9 30.7 1.0
O23 A:PW9307 5.0 38.4 0.5
W6 A:PW9307 5.0 38.4 0.5

Tungsten binding site 3 out of 36 in 7ov7

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Tungsten binding site 3 out of 36 in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W307

b:38.4
occ:0.47
W1E A:PW9307 0.0 38.4 0.5
W3E A:PW9307 0.4 38.4 0.5
O12E A:PW9307 1.6 38.4 0.5
O15E A:PW9307 1.7 38.4 0.5
O1E A:PW9307 1.8 38.4 0.5
O11E A:PW9307 1.8 38.4 0.5
O8E A:PW9307 1.9 38.4 0.5
O9E A:PW9307 1.9 38.4 0.5
O18E A:PW9307 2.0 38.4 0.5
O20E A:PW9307 2.0 38.4 0.5
O17E A:PW9307 2.1 38.4 0.5
O9E A:PW9307 2.2 38.4 0.5
O19E A:PW9307 2.3 38.4 0.5
O19E A:PW9307 2.7 38.4 0.5
W5E A:PW9307 3.1 38.4 0.5
O23E A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
O2E A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
W4 A:PW9307 3.5 38.4 0.5
W5 A:PW9307 3.6 38.4 0.5
W3E A:PW9307 3.6 38.4 0.5
W6 A:PW9307 3.6 38.4 0.5
O2 A:PW9307 3.7 38.4 0.5
O4 A:PW9307 3.7 38.4 0.5
O1E A:PW9307 3.8 38.4 0.5
O22 A:PW9307 3.9 38.4 0.5
W1E A:PW9307 3.9 38.4 0.5
O8E A:PW9307 3.9 38.4 0.5
CU A:CU304 3.9 31.1 1.0
O21 A:PW9307 3.9 38.4 0.5
O23 A:PW9307 4.0 38.4 0.5
NE2 B:HIS157 4.0 27.2 1.0
O16 A:PW9307 4.0 38.4 0.5
O22 A:PW9307 4.1 38.4 0.5
O17E A:PW9307 4.1 38.4 0.5
CE1 A:HIS241 4.2 35.1 1.0
O13E A:PW9307 4.2 38.4 0.5
O20E A:PW9307 4.4 38.4 0.5
O23 A:PW9307 4.4 38.4 0.5
CE1 B:HIS157 4.4 35.1 1.0
O5 A:PW9307 4.6 38.4 0.5
O11E A:PW9307 4.6 38.4 0.5
O13 A:PW9307 4.6 38.4 0.5
O14 A:PW9307 4.6 38.4 0.5
O20 A:PW9307 4.7 38.4 0.5
CD2 B:HIS157 4.7 27.2 1.0
NE2 A:HIS241 4.8 31.4 1.0
O A:HOH476 4.9 24.1 1.0
O4 A:PW9307 4.9 38.4 0.5
O12E A:PW9307 4.9 38.4 0.5
W6 A:PW9307 5.0 38.4 0.5

Tungsten binding site 4 out of 36 in 7ov7

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Tungsten binding site 4 out of 36 in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W307

b:38.4
occ:0.53
W1E A:PW9307 0.0 38.4 0.5
W4 A:PW9307 0.4 38.4 0.5
O12E A:PW9307 1.6 38.4 0.5
O3 A:PW9307 1.7 38.4 0.5
O14 A:PW9307 1.8 38.4 0.5
O2 A:PW9307 1.9 38.4 0.5
O8E A:PW9307 1.9 38.4 0.5
O9E A:PW9307 1.9 38.4 0.5
O18E A:PW9307 2.0 38.4 0.5
O20E A:PW9307 2.0 38.4 0.5
O16 A:PW9307 2.1 38.4 0.5
O18E A:PW9307 2.2 38.4 0.5
O21 A:PW9307 2.2 38.4 0.5
O19E A:PW9307 2.3 38.4 0.5
W2 A:PW9307 3.2 38.4 0.5
O7 A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
W4 A:PW9307 3.5 38.4 0.5
W5 A:PW9307 3.6 38.4 0.5
W3E A:PW9307 3.6 38.4 0.5
W5 A:PW9307 3.6 38.4 0.5
O1 A:PW9307 3.7 38.4 0.5
O2 A:PW9307 3.7 38.4 0.5
O22 A:PW9307 3.7 38.4 0.5
O1E A:PW9307 3.8 38.4 0.5
O19E A:PW9307 3.8 38.4 0.5
O22 A:PW9307 3.9 38.4 0.5
W1E A:PW9307 3.9 38.4 0.5
O20E A:PW9307 3.9 38.4 0.5
O21 A:PW9307 3.9 38.4 0.5
O23 A:PW9307 4.0 38.4 0.5
O15 A:PW9307 4.0 38.4 0.5
O16 A:PW9307 4.0 38.4 0.5
O17E A:PW9307 4.1 38.4 0.5
CU A:CU305 4.2 26.4 1.0
CE1 A:HIS31 4.2 25.1 1.0
O10 A:PW9307 4.2 38.4 0.5
O8E A:PW9307 4.3 38.4 0.5
NE2 B:HIS115 4.4 25.6 1.0
O11E A:PW9307 4.6 38.4 0.5
O13 A:PW9307 4.6 38.4 0.5
O14 A:PW9307 4.6 38.4 0.5
O A:HOH476 4.7 24.1 1.0
O4 A:PW9307 4.7 38.4 0.5
NE2 A:HIS31 4.7 23.3 1.0
O13 A:PW9307 4.7 38.4 0.5
W3 A:PW9307 4.7 38.4 0.5
O8 A:PW9307 4.8 38.4 0.5
CE1 B:HIS115 4.8 29.6 1.0
O4 A:PW9307 4.9 38.4 0.5
CE1 A:HIS73 4.9 28.6 1.0
CD2 B:HIS115 4.9 26.9 1.0
O12E A:PW9307 5.0 38.4 0.5
W6 A:PW9307 5.0 38.4 0.5

Tungsten binding site 5 out of 36 in 7ov7

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Tungsten binding site 5 out of 36 in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W307

b:38.4
occ:0.47
W2 A:PW9307 0.0 38.4 0.5
W4 A:PW9307 0.5 38.4 0.5
O18E A:PW9307 1.3 38.4 0.5
O14 A:PW9307 1.7 38.4 0.5
O10 A:PW9307 1.7 38.4 0.5
O7 A:PW9307 1.9 38.4 0.5
O8 A:PW9307 1.9 38.4 0.5
O3 A:PW9307 2.0 38.4 0.5
O1 A:PW9307 2.0 38.4 0.5
O16 A:PW9307 2.0 38.4 0.5
O2 A:PW9307 2.1 38.4 0.5
O21 A:PW9307 2.3 38.4 0.5
O21 A:PW9307 2.5 38.4 0.5
O3 A:PW9307 2.6 38.4 0.5
W1E A:PW9307 3.2 38.4 0.5
O20E A:PW9307 3.4 38.4 0.5
W5 A:PW9307 3.5 38.4 0.5
W4 A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
O19E A:PW9307 3.5 38.4 0.5
W1 A:PW9307 3.5 38.4 0.5
W3 A:PW9307 3.6 38.4 0.5
P1 A:PW9307 3.6 38.4 0.5
O9 A:PW9307 3.6 38.4 0.5
O16 A:PW9307 3.6 38.4 0.5
O8E A:PW9307 3.7 38.4 0.5
O4 A:PW9307 3.7 38.4 0.5
O22 A:PW9307 3.8 38.4 0.5
O22 A:PW9307 3.9 38.4 0.5
CU A:CU306 3.9 22.6 1.0
W2 A:PW9307 4.0 38.4 0.5
O2 A:PW9307 4.0 38.4 0.5
O18 A:PW9307 4.0 38.4 0.5
CE1 A:HIS73 4.0 28.6 1.0
O7 A:PW9307 4.1 38.4 0.5
O12E A:PW9307 4.1 38.4 0.5
NE2 B:HIS73 4.2 19.8 1.0
O15 A:PW9307 4.3 38.4 0.5
O15 A:PW9307 4.4 38.4 0.5
O1 A:PW9307 4.4 38.4 0.5
NE2 A:HIS73 4.5 24.3 1.0
CE1 B:HIS73 4.5 28.5 1.0
O12 A:PW9307 4.6 38.4 0.5
O14 A:PW9307 4.6 38.4 0.5
O11 A:PW9307 4.6 38.4 0.5
O13 A:PW9307 4.6 38.4 0.5
O19E A:PW9307 4.7 38.4 0.5
O9E A:PW9307 4.8 38.4 0.5
O4 A:PW9307 4.9 38.4 0.5
CD2 B:HIS73 4.9 27.4 1.0
O18E A:PW9307 4.9 38.4 0.5
O23 A:PW9307 5.0 38.4 0.5
W5 A:PW9307 5.0 38.4 0.5

Tungsten binding site 6 out of 36 in 7ov7

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Tungsten binding site 6 out of 36 in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W307

b:38.4
occ:0.53
W2 A:PW9307 0.0 38.4 0.5
W1 A:PW9307 0.5 38.4 0.5
O20 A:PW9307 1.5 38.4 0.5
O10 A:PW9307 1.7 38.4 0.5
O12 A:PW9307 1.7 38.4 0.5
O7 A:PW9307 1.9 38.4 0.5
O8 A:PW9307 1.9 38.4 0.5
O3 A:PW9307 2.0 38.4 0.5
O1 A:PW9307 2.0 38.4 0.5
O9 A:PW9307 2.0 38.4 0.5
O18 A:PW9307 2.0 38.4 0.5
O4 A:PW9307 2.2 38.4 0.5
O21 A:PW9307 2.3 38.4 0.5
O8 A:PW9307 2.4 38.4 0.5
W5E A:PW9307 3.1 38.4 0.5
O2E A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
W4 A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
W1 A:PW9307 3.5 38.4 0.5
W3 A:PW9307 3.6 38.4 0.5
O23E A:PW9307 3.6 38.4 0.5
O9 A:PW9307 3.6 38.4 0.5
O16 A:PW9307 3.6 38.4 0.5
W3 A:PW9307 3.7 38.4 0.5
O4 A:PW9307 3.7 38.4 0.5
O22 A:PW9307 3.8 38.4 0.5
O22 A:PW9307 3.9 38.4 0.5
W2 A:PW9307 4.0 38.4 0.5
O17 A:PW9307 4.0 38.4 0.5
O18 A:PW9307 4.0 38.4 0.5
O2 A:PW9307 4.0 38.4 0.5
O1 A:PW9307 4.0 38.4 0.5
CU A:CU301 4.0 23.4 1.0
O21 A:PW9307 4.1 38.4 0.5
O13E A:PW9307 4.1 38.4 0.5
CE1 A:HIS115 4.2 34.4 1.0
O15 A:PW9307 4.3 38.4 0.5
NE2 B:HIS31 4.5 26.5 1.0
O7 A:PW9307 4.5 38.4 0.5
O14 A:PW9307 4.6 38.4 0.5
O12 A:PW9307 4.6 38.4 0.5
O11 A:PW9307 4.6 38.4 0.5
NE2 A:HIS115 4.6 30.2 1.0
O11 A:PW9307 4.7 38.4 0.5
O19E A:PW9307 4.7 38.4 0.5
W6 A:PW9307 4.7 38.4 0.5
O19E A:PW9307 4.8 38.4 0.5
O15E A:PW9307 4.8 38.4 0.5
CE1 B:HIS31 4.9 26.0 1.0
O18E A:PW9307 4.9 38.4 0.5
CE1 B:HIS241 4.9 37.1 1.0
CD2 B:HIS31 5.0 25.8 1.0

Tungsten binding site 7 out of 36 in 7ov7

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Tungsten binding site 7 out of 36 in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W307

b:38.4
occ:0.47
W3 A:PW9307 0.0 38.4 0.5
O15 A:PW9307 0.9 38.4 0.5
O11 A:PW9307 1.6 38.4 0.5
W5 A:PW9307 1.8 38.4 0.5
O2 A:PW9307 1.8 38.4 0.5
O9 A:PW9307 1.8 38.4 0.5
O1 A:PW9307 1.9 38.4 0.5
O17 A:PW9307 2.0 38.4 0.5
O15 A:PW9307 2.1 38.4 0.5
O22 A:PW9307 2.2 38.4 0.5
W3 A:PW9307 2.3 38.4 0.5
O1 A:PW9307 2.4 38.4 0.5
O22 A:PW9307 2.4 38.4 0.5
O13 A:PW9307 2.8 38.4 0.5
O23 A:PW9307 3.0 38.4 0.5
O3 A:PW9307 3.2 38.4 0.5
O11 A:PW9307 3.3 38.4 0.5
O21 A:PW9307 3.3 38.4 0.5
O17 A:PW9307 3.3 38.4 0.5
W4 A:PW9307 3.4 38.4 0.5
O20E A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
W5 A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
W6 A:PW9307 3.5 38.4 0.5
W2 A:PW9307 3.6 38.4 0.5
W1 A:PW9307 3.6 38.4 0.5
W2 A:PW9307 3.7 38.4 0.5
O23 A:PW9307 3.7 38.4 0.5
O4 A:PW9307 3.7 38.4 0.5
O8 A:PW9307 3.7 38.4 0.5
O21 A:PW9307 3.8 38.4 0.5
O9 A:PW9307 3.9 38.4 0.5
K A:K311 3.9 51.2 1.0
O2 A:PW9307 3.9 38.4 0.5
CE1 A:HIS115 4.0 34.4 1.0
K A:K312 4.0 56.4 1.0
W6 A:PW9307 4.0 38.4 0.5
O20 A:PW9307 4.1 38.4 0.5
O23E A:PW9307 4.1 38.4 0.5
O18E A:PW9307 4.2 38.4 0.5
O19E A:PW9307 4.2 38.4 0.5
O3 A:PW9307 4.2 38.4 0.5
ND1 A:HIS115 4.3 32.6 1.0
O4 A:PW9307 4.4 38.4 0.5
O14 A:PW9307 4.4 38.4 0.5
CE1 A:HIS73 4.5 28.6 1.0
O12 A:PW9307 4.5 38.4 0.5
O5 A:PW9307 4.6 38.4 0.5
O13 A:PW9307 4.6 38.4 0.5
W1E A:PW9307 4.7 38.4 0.5
O8 A:PW9307 4.7 38.4 0.5
O19E A:PW9307 4.8 38.4 0.5
O10 A:PW9307 4.8 38.4 0.5
O16 A:PW9307 4.9 38.4 0.5
O10 A:PW9307 4.9 38.4 0.5
W4 A:PW9307 5.0 38.4 0.5

Tungsten binding site 8 out of 36 in 7ov7

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Tungsten binding site 8 out of 36 in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W307

b:38.4
occ:0.53
W3 A:PW9307 0.0 38.4 0.5
O17 A:PW9307 0.6 38.4 0.5
O11 A:PW9307 1.6 38.4 0.5
O9 A:PW9307 1.8 38.4 0.5
W6 A:PW9307 1.9 38.4 0.5
O1 A:PW9307 1.9 38.4 0.5
O17 A:PW9307 2.0 38.4 0.5
O15 A:PW9307 2.1 38.4 0.5
O23E A:PW9307 2.1 38.4 0.5
W3 A:PW9307 2.3 38.4 0.5
O9 A:PW9307 2.3 38.4 0.5
O22 A:PW9307 2.4 38.4 0.5
O22 A:PW9307 2.6 38.4 0.5
O5 A:PW9307 2.7 38.4 0.5
O20 A:PW9307 3.0 38.4 0.5
O11 A:PW9307 3.2 38.4 0.5
O23 A:PW9307 3.2 38.4 0.5
O15 A:PW9307 3.4 38.4 0.5
O4 A:PW9307 3.5 38.4 0.5
O17E A:PW9307 3.5 38.4 0.5
W5 A:PW9307 3.5 38.4 0.5
W6 A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
W2 A:PW9307 3.6 38.4 0.5
W5E A:PW9307 3.6 38.4 0.5
W1 A:PW9307 3.6 38.4 0.5
P1 A:PW9307 3.7 38.4 0.5
O23 A:PW9307 3.7 38.4 0.5
O4 A:PW9307 3.7 38.4 0.5
O8 A:PW9307 3.7 38.4 0.5
W1 A:PW9307 3.8 38.4 0.5
O21 A:PW9307 3.8 38.4 0.5
K A:K311 3.8 51.2 1.0
O2 A:PW9307 3.9 38.4 0.5
CE1 A:HIS157 4.0 34.8 1.0
O1 A:PW9307 4.0 38.4 0.5
K A:K310 4.0 56.1 1.0
O20 A:PW9307 4.1 38.4 0.5
W5 A:PW9307 4.1 38.4 0.5
O23E A:PW9307 4.1 38.4 0.5
O3 A:PW9307 4.2 38.4 0.5
ND1 A:HIS157 4.3 35.5 1.0
O13E A:PW9307 4.4 38.4 0.5
O12 A:PW9307 4.6 38.4 0.5
O19E A:PW9307 4.6 38.4 0.5
O5 A:PW9307 4.6 38.4 0.5
O15E A:PW9307 4.6 38.4 0.5
CE1 A:HIS115 4.6 34.4 1.0
O13 A:PW9307 4.6 38.4 0.5
O12 A:PW9307 4.7 38.4 0.5
O19E A:PW9307 4.8 38.4 0.5
O21 A:PW9307 4.8 38.4 0.5
O10 A:PW9307 4.8 38.4 0.5
O8 A:PW9307 4.9 38.4 0.5
W3E A:PW9307 4.9 38.4 0.5
W4 A:PW9307 5.0 38.4 0.5

Tungsten binding site 9 out of 36 in 7ov7

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Tungsten binding site 9 out of 36 in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W307

b:38.4
occ:0.47
W3E A:PW9307 0.0 38.4 0.5
W5E A:PW9307 0.6 38.4 0.5
O20 A:PW9307 1.4 38.4 0.5
O11E A:PW9307 1.6 38.4 0.5
O2E A:PW9307 1.7 38.4 0.5
O9E A:PW9307 1.8 38.4 0.5
O1E A:PW9307 1.9 38.4 0.5
O13E A:PW9307 1.9 38.4 0.5
O17E A:PW9307 2.0 38.4 0.5
O15E A:PW9307 2.1 38.4 0.5
O23E A:PW9307 2.1 38.4 0.5
O4 A:PW9307 2.3 38.4 0.5
O15E A:PW9307 2.4 38.4 0.5
O19E A:PW9307 2.6 38.4 0.5
W1 A:PW9307 3.1 38.4 0.5
O18 A:PW9307 3.1 38.4 0.5
W5E A:PW9307 3.5 38.4 0.5
P1 A:PW9307 3.5 38.4 0.5
W6 A:PW9307 3.6 38.4 0.5
P1 A:PW9307 3.6 38.4 0.5
W1E A:PW9307 3.6 38.4 0.5
O23E A:PW9307 3.7 38.4 0.5
O8E A:PW9307 3.7 38.4 0.5
O9 A:PW9307 3.8 38.4 0.5
CU A:CU303 3.9 33.1 1.0
W6 A:PW9307 3.9 38.4 0.5
O4 A:PW9307 3.9 38.4 0.5
W3E A:PW9307 3.9 38.4 0.5
O2E A:PW9307 3.9 38.4 0.5
O22 A:PW9307 4.0 38.4 0.5
O17E A:PW9307 4.0 38.4 0.5
NE2 B:HIS199 4.0 34.0 1.0
O20E A:PW9307 4.0 38.4 0.5
O12 A:PW9307 4.1 38.4 0.5
O19E A:PW9307 4.1 38.4 0.5
O22 A:PW9307 4.1 38.4 0.5
CE1 A:HIS199 4.1 44.2 1.0
O17 A:PW9307 4.1 38.4 0.5
O23 A:PW9307 4.2 38.4 0.5
O1E A:PW9307 4.3 38.4 0.5
CE1 B:HIS199 4.4 36.0 1.0
O5 A:PW9307 4.5 38.4 0.5
O12E A:PW9307 4.6 38.4 0.5
NE2 A:HIS199 4.6 39.4 1.0
O13E A:PW9307 4.6 38.4 0.5
CD2 B:HIS199 4.7 32.5 1.0
O8 A:PW9307 4.7 38.4 0.5
O A:HOH453 4.7 32.9 0.9
O21 A:PW9307 4.9 38.4 0.5
O5 A:PW9307 4.9 38.4 0.5
W3 A:PW9307 4.9 38.4 0.5

Tungsten binding site 10 out of 36 in 7ov7

Go back to Tungsten Binding Sites List in 7ov7
Tungsten binding site 10 out of 36 in the The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of The Hybrid Cage Formed Between PIZZA6-S and Cu(II)-Substituted Trilacunary Keggin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W307

b:38.4
occ:0.53
W3E A:PW9307 0.0 38.4 0.5
W1E A:PW9307 0.4 38.4 0.5
O18E A:PW9307 1.6 38.4 0.5
O11E A:PW9307 1.7 38.4 0.5
O12E A:PW9307 1.7 38.4 0.5
O20E A:PW9307 1.8 38.4 0.5
O9E A:PW9307 1.8 38.4 0.5
O1E A:PW9307 1.9 38.4 0.5
O17E A:PW9307 2.0 38.4 0.5
O15E A:PW9307 2.1 38.4 0.5
O8E A:PW9307 2.2 38.4 0.5
O9E A:PW9307 2.3 38.4 0.5
O19E A:PW9307 2.5 38.4 0.5
O19E A:PW9307 2.6 38.4 0.5
W4 A:PW9307 3.2 38.4 0.5
W5 A:PW9307 3.3 38.4 0.5
O2 A:PW9307 3.4 38.4 0.5
W5E A:PW9307 3.5 38.4 0.5
W1E A:PW9307 3.6 38.4 0.5
P1 A:PW9307 3.6 38.4 0.5
W6 A:PW9307 3.6 38.4 0.5
P1 A:PW9307 3.6 38.4 0.5
O23E A:PW9307 3.7 38.4 0.5
O8E A:PW9307 3.7 38.4 0.5
O22 A:PW9307 3.8 38.4 0.5
O21 A:PW9307 3.8 38.4 0.5
O16 A:PW9307 3.9 38.4 0.5
O2E A:PW9307 3.9 38.4 0.5
O4 A:PW9307 3.9 38.4 0.5
W3E A:PW9307 3.9 38.4 0.5
O23 A:PW9307 4.0 38.4 0.5
CU A:CU304 4.0 31.1 1.0
O22 A:PW9307 4.0 38.4 0.5
O20E A:PW9307 4.0 38.4 0.5
O23 A:PW9307 4.2 38.4 0.5
CE1 A:HIS241 4.2 35.1 1.0
NE2 B:HIS157 4.2 27.2 1.0
O1E A:PW9307 4.2 38.4 0.5
O14 A:PW9307 4.2 38.4 0.5
O13 A:PW9307 4.3 38.4 0.5
O17E A:PW9307 4.3 38.4 0.5
O5 A:PW9307 4.5 38.4 0.5
O12E A:PW9307 4.5 38.4 0.5
O13E A:PW9307 4.6 38.4 0.5
CE1 B:HIS157 4.7 35.1 1.0
NE2 A:HIS241 4.8 31.4 1.0
CD2 B:HIS157 4.8 27.2 1.0
O A:HOH476 4.8 24.1 1.0
O4 A:PW9307 5.0 38.4 0.5

Reference:

L.Vandebroek, H.Noguchi, A.Anyushin, L.Van Meervelt, A.R.D.Voet, T.N.Parac-Vogt. Hierarchical Self-Assembly of A Supramolecular Protein-Metal Cage Encapsulating A Polyoxometalate Guest Cryst.Growth Des. 2022.
ISSN: ESSN 1528-7505
DOI: 10.1021/ACS.CGD.1C01138
Page generated: Sat Oct 12 11:12:19 2024

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