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Tungsten in PDB 7a9k: Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K

Enzymatic activity of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K

All present enzymatic activity of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K:
3.4.21.64;

Protein crystallography data

The structure of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K, PDB code: 7a9k was solved by J.Breibeck, A.Rompel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.56 / 1.62
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 68.05, 68.05, 102.47, 90, 90, 90
R / Rfree (%) 13.1 / 16.6

Other elements in 7a9k:

The structure of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K also contains other interesting chemical elements:

Cobalt (Co) 2 atoms
Silicon (Si) 2 atoms

Tungsten Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Tungsten atom in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K (pdb code 7a9k). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 22 binding sites of Tungsten where determined in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K, PDB code: 7a9k:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 22 in 7a9k

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Tungsten binding site 1 out of 22 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W302

b:89.7
occ:0.20
W12 A:R5Q302 0.0 89.7 0.2
O75 A:R5Q302 1.7 68.8 0.2
O40 A:R5Q302 1.7 76.5 0.2
O41 A:R5Q302 1.9 92.5 0.2
O46 A:R5Q302 1.9 66.7 0.2
O43 A:R5Q302 2.0 96.0 0.2
O59 A:R5Q302 2.4 83.3 0.2
W14 A:R5Q302 3.2 87.0 0.2
W19 A:R5Q302 3.5 41.5 0.2
O47 A:R5Q302 3.5 87.1 0.2
O76 A:R5Q302 3.6 71.2 0.2
CO1 A:R5Q302 3.6 66.9 0.2
SI2 A:R5Q302 3.6 79.7 0.2
W13 A:R5Q302 3.7 78.5 0.2
O49 A:R5Q302 3.7 97.2 0.2
O60 A:R5Q302 3.9 87.2 0.2
O A:HOH689 4.1 35.0 1.0
HH22 A:ARG185 4.1 12.7 1.0
O57 A:R5Q302 4.1 53.5 0.2
O61 A:R5Q302 4.2 76.2 0.2
O A:HOH672 4.3 39.6 1.0
HE A:ARG185 4.3 14.9 1.0
O44 A:R5Q302 4.4 90.1 0.2
O48 A:R5Q302 4.6 99.6 0.2
O63 A:R5Q302 4.6 96.0 0.2
NH2 A:ARG185 4.7 10.6 1.0
O78 A:R5Q302 4.7 46.0 0.2
O58 A:R5Q302 4.7 44.2 0.2
O42 A:R5Q302 4.8 70.9 0.2
NE A:ARG185 4.8 12.4 1.0
O68 A:R5Q302 4.9 70.7 0.2
W15 A:R5Q302 4.9 83.7 0.2
O62 A:R5Q302 4.9 81.9 0.2
OD2 A:ASP207 5.0 16.7 1.0

Tungsten binding site 2 out of 22 in 7a9k

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Tungsten binding site 2 out of 22 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W302

b:78.5
occ:0.20
W13 A:R5Q302 0.0 78.5 0.2
O76 A:R5Q302 1.7 71.2 0.2
O42 A:R5Q302 1.7 70.9 0.2
O41 A:R5Q302 1.9 92.5 0.2
O45 A:R5Q302 1.9 87.1 0.2
O44 A:R5Q302 2.0 90.1 0.2
O60 A:R5Q302 2.5 87.2 0.2
W15 A:R5Q302 3.4 83.7 0.2
W16 A:R5Q302 3.5 81.1 0.2
O51 A:R5Q302 3.5 89.9 0.2
SI2 A:R5Q302 3.7 79.7 0.2
W12 A:R5Q302 3.7 89.7 0.2
CO1 A:R5Q302 3.7 66.9 0.2
O49 A:R5Q302 3.8 97.2 0.2
O75 A:R5Q302 3.8 68.8 0.2
O59 A:R5Q302 4.0 83.3 0.2
O53 A:R5Q302 4.0 80.1 0.2
O61 A:R5Q302 4.3 76.2 0.2
O43 A:R5Q302 4.4 96.0 0.2
O A:HOH689 4.4 35.0 1.0
OD2 A:ASP207 4.5 16.7 1.0
O77 A:R5Q302 4.5 50.2 0.2
O50 A:R5Q302 4.6 91.6 0.2
O40 A:R5Q302 4.7 76.5 0.2
O52 A:R5Q302 4.7 81.9 0.2
O64 A:R5Q302 4.8 96.5 0.2
OD1 A:ASP207 4.8 11.9 1.0
CG A:ASP207 4.9 15.8 1.0
O65 A:R5Q302 4.9 86.9 0.2
W14 A:R5Q302 4.9 87.0 0.2
O62 A:R5Q302 5.0 81.9 0.2

Tungsten binding site 3 out of 22 in 7a9k

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Tungsten binding site 3 out of 22 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W302

b:87.0
occ:0.20
W14 A:R5Q302 0.0 87.0 0.2
O48 A:R5Q302 1.7 99.6 0.2
O43 A:R5Q302 1.8 96.0 0.2
O49 A:R5Q302 1.9 97.2 0.2
O63 A:R5Q302 1.9 96.0 0.2
O47 A:R5Q302 2.0 87.1 0.2
O59 A:R5Q302 2.4 83.3 0.2
W12 A:R5Q302 3.2 89.7 0.2
O46 A:R5Q302 3.3 66.7 0.2
W19 A:R5Q302 3.4 41.5 0.2
SI2 A:R5Q302 3.5 79.7 0.2
O41 A:R5Q302 3.6 92.5 0.2
O64 A:R5Q302 3.7 96.5 0.2
W15 A:R5Q302 3.7 83.7 0.2
W20 A:R5Q302 3.8 91.1 0.2
O60 A:R5Q302 3.9 87.2 0.2
O68 A:R5Q302 3.9 70.7 0.2
O62 A:R5Q302 3.9 81.9 0.2
O69 A:R5Q302 4.3 80.3 0.2
O75 A:R5Q302 4.3 68.8 0.2
O44 A:R5Q302 4.3 90.1 0.2
O40 A:R5Q302 4.4 76.5 0.2
O58 A:R5Q302 4.6 44.2 0.2
O50 A:R5Q302 4.6 91.6 0.2
O70 A:R5Q302 4.6 84.7 0.2
O61 A:R5Q302 4.9 76.2 0.2
O57 A:R5Q302 4.9 53.5 0.2
W13 A:R5Q302 4.9 78.5 0.2

Tungsten binding site 4 out of 22 in 7a9k

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Tungsten binding site 4 out of 22 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W302

b:83.7
occ:0.20
W15 A:R5Q302 0.0 83.7 0.2
O50 A:R5Q302 1.7 91.6 0.2
O44 A:R5Q302 1.8 90.1 0.2
O51 A:R5Q302 1.9 89.9 0.2
O49 A:R5Q302 1.9 97.2 0.2
O64 A:R5Q302 1.9 96.5 0.2
O60 A:R5Q302 2.4 87.2 0.2
W13 A:R5Q302 3.4 78.5 0.2
W16 A:R5Q302 3.5 81.1 0.2
O45 A:R5Q302 3.5 87.1 0.2
O63 A:R5Q302 3.5 96.0 0.2
SI2 A:R5Q302 3.6 79.7 0.2
W20 A:R5Q302 3.6 91.1 0.2
O41 A:R5Q302 3.7 92.5 0.2
W14 A:R5Q302 3.7 87.0 0.2
O65 A:R5Q302 3.8 86.9 0.2
O62 A:R5Q302 4.0 81.9 0.2
O59 A:R5Q302 4.0 83.3 0.2
O43 A:R5Q302 4.3 96.0 0.2
O71 A:R5Q302 4.4 81.4 0.2
O76 A:R5Q302 4.4 71.2 0.2
O70 A:R5Q302 4.6 84.7 0.2
O48 A:R5Q302 4.6 99.6 0.2
O42 A:R5Q302 4.7 70.9 0.2
O52 A:R5Q302 4.7 81.9 0.2
O53 A:R5Q302 4.8 80.1 0.2
W12 A:R5Q302 4.9 89.7 0.2

Tungsten binding site 5 out of 22 in 7a9k

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Tungsten binding site 5 out of 22 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W302

b:81.1
occ:0.20
W16 A:R5Q302 0.0 81.1 0.2
O52 A:R5Q302 1.7 81.9 0.2
O53 A:R5Q302 1.9 80.1 0.2
O65 A:R5Q302 1.9 86.9 0.2
O51 A:R5Q302 2.0 89.9 0.2
O45 A:R5Q302 2.0 87.1 0.2
O60 A:R5Q302 2.5 87.2 0.2
W15 A:R5Q302 3.5 83.7 0.2
W13 A:R5Q302 3.5 78.5 0.2
O76 A:R5Q302 3.6 71.2 0.2
SI2 A:R5Q302 3.6 79.7 0.2
W21 A:R5Q302 3.6 75.5 0.2
O66 A:R5Q302 3.7 69.9 0.2
O44 A:R5Q302 3.7 90.1 0.2
W17 A:R5Q302 3.7 79.7 0.2
O64 A:R5Q302 3.8 96.5 0.2
O62 A:R5Q302 3.9 81.9 0.2
O61 A:R5Q302 4.0 76.2 0.2
O77 A:R5Q302 4.2 50.2 0.2
O71 A:R5Q302 4.4 81.4 0.2
O72 A:R5Q302 4.5 8.2 0.2
O54 A:R5Q302 4.6 61.8 0.2
O42 A:R5Q302 4.7 70.9 0.2
O50 A:R5Q302 4.7 91.6 0.2
O49 A:R5Q302 4.9 97.2 0.2
O41 A:R5Q302 4.9 92.5 0.2
O59 A:R5Q302 5.0 83.3 0.2
CO1 A:R5Q302 5.0 66.9 0.2
W20 A:R5Q302 5.0 91.1 0.2

Tungsten binding site 6 out of 22 in 7a9k

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Tungsten binding site 6 out of 22 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W302

b:79.7
occ:0.20
W17 A:R5Q302 0.0 79.7 0.2
O54 A:R5Q302 1.7 61.8 0.2
O77 A:R5Q302 1.7 50.2 0.2
O55 A:R5Q302 1.9 54.5 0.2
O53 A:R5Q302 1.9 80.1 0.2
O66 A:R5Q302 1.9 69.9 0.2
O61 A:R5Q302 2.3 76.2 0.2
W18 A:R5Q302 3.4 34.0 0.2
O78 A:R5Q302 3.5 46.0 0.2
CO1 A:R5Q302 3.5 66.9 0.2
SI2 A:R5Q302 3.5 79.7 0.2
W21 A:R5Q302 3.6 75.5 0.2
O65 A:R5Q302 3.6 86.9 0.2
W16 A:R5Q302 3.7 81.1 0.2
O A:HOH403 3.7 32.2 1.0
O67 A:R5Q302 3.9 50.6 0.2
O62 A:R5Q302 3.9 81.9 0.2
O60 A:R5Q302 3.9 87.2 0.2
O76 A:R5Q302 4.0 71.2 0.2
OD2 A:ASP207 4.1 16.7 1.0
HG22 A:THR206 4.2 7.4 1.0
O A:HOH660 4.3 34.7 1.0
O73 A:R5Q302 4.3 64.0 0.2
O A:HOH593 4.5 19.0 1.0
HG23 A:THR206 4.5 7.4 1.0
O45 A:R5Q302 4.6 87.1 0.2
O72 A:R5Q302 4.6 8.2 0.2
O52 A:R5Q302 4.6 81.9 0.2
O56 A:R5Q302 4.6 32.1 0.2
CG2 A:THR206 4.7 6.2 1.0
HG21 A:THR206 4.8 7.4 1.0
O59 A:R5Q302 4.9 83.3 0.2
O57 A:R5Q302 4.9 53.5 0.2
W22 A:R5Q302 4.9 76.2 0.2
O A:HOH700 5.0 21.1 1.0

Tungsten binding site 7 out of 22 in 7a9k

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Tungsten binding site 7 out of 22 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W302

b:34.0
occ:0.20
W18 A:R5Q302 0.0 34.0 0.2
O78 A:R5Q302 1.7 46.0 0.2
O56 A:R5Q302 1.7 32.1 0.2
O57 A:R5Q302 1.9 53.5 0.2
O55 A:R5Q302 1.9 54.5 0.2
O67 A:R5Q302 2.0 50.6 0.2
O61 A:R5Q302 2.3 76.2 0.2
O A:HOH403 2.8 32.2 1.0
HE2 A:TYR186 2.9 16.9 1.0
W17 A:R5Q302 3.4 79.7 0.2
HH21 A:ARG188 3.4 18.6 1.0
HH22 A:ARG188 3.4 18.6 1.0
CO1 A:R5Q302 3.4 66.9 0.2
O77 A:R5Q302 3.5 50.2 0.2
O68 A:R5Q302 3.6 70.7 0.2
SI2 A:R5Q302 3.6 79.7 0.2
W19 A:R5Q302 3.7 41.5 0.2
W22 A:R5Q302 3.7 76.2 0.2
CE2 A:TYR186 3.8 14.1 1.0
NH2 A:ARG188 3.8 15.5 1.0
HD2 A:TYR186 3.8 14.6 1.0
O59 A:R5Q302 3.9 83.3 0.2
O66 A:R5Q302 4.0 69.9 0.2
O75 A:R5Q302 4.0 68.8 0.2
O62 A:R5Q302 4.0 81.9 0.2
HG2 A:ARG185 4.1 8.3 1.0
CD2 A:TYR186 4.2 12.2 1.0
O A:HOH401 4.2 20.4 1.0
HE A:ARG185 4.2 14.9 1.0
O73 A:R5Q302 4.5 64.0 0.2
O46 A:R5Q302 4.6 66.7 0.2
O58 A:R5Q302 4.6 44.2 0.2
HD2 A:ARG185 4.6 13.8 1.0
OD2 A:ASP207 4.6 16.7 1.0
O74 A:R5Q302 4.6 48.6 0.2
O A:HOH593 4.7 19.0 1.0
O54 A:R5Q302 4.7 61.8 0.2
O A:HOH606 4.7 6.0 1.0
HB2 A:ASP184 4.7 7.8 1.0
HG23 A:THR206 4.8 7.4 1.0
HG22 A:THR206 4.9 7.4 1.0
O53 A:R5Q302 4.9 80.1 0.2
CZ A:TYR186 4.9 15.3 1.0
CG A:ARG185 4.9 6.9 1.0
NE A:ARG185 4.9 12.4 1.0
OD2 A:ASP184 5.0 9.2 1.0
O60 A:R5Q302 5.0 87.2 0.2

Tungsten binding site 8 out of 22 in 7a9k

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Tungsten binding site 8 out of 22 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W302

b:41.5
occ:0.20
W19 A:R5Q302 0.0 41.5 0.2
O58 A:R5Q302 1.7 44.2 0.2
O68 A:R5Q302 1.8 70.7 0.2
O57 A:R5Q302 1.9 53.5 0.2
O47 A:R5Q302 1.9 87.1 0.2
O46 A:R5Q302 2.0 66.7 0.2
O59 A:R5Q302 2.4 83.3 0.2
OH A:TYR186 3.2 21.5 1.0
HE2 A:TYR186 3.2 16.9 1.0
O75 A:R5Q302 3.4 68.8 0.2
W14 A:R5Q302 3.4 87.0 0.2
SI2 A:R5Q302 3.5 79.7 0.2
W12 A:R5Q302 3.5 89.7 0.2
O67 A:R5Q302 3.7 50.6 0.2
W18 A:R5Q302 3.7 34.0 0.2
W22 A:R5Q302 3.7 76.2 0.2
O63 A:R5Q302 3.8 96.0 0.2
O43 A:R5Q302 3.8 96.0 0.2
O61 A:R5Q302 3.8 76.2 0.2
HH A:TYR186 3.8 25.8 1.0
O62 A:R5Q302 3.9 81.9 0.2
HD2 A:ARG185 3.9 13.8 1.0
CE2 A:TYR186 3.9 14.1 1.0
CZ A:TYR186 4.0 15.3 1.0
O78 A:R5Q302 4.2 46.0 0.2
O69 A:R5Q302 4.3 80.3 0.2
HE A:ARG185 4.4 14.9 1.0
O A:HOH672 4.5 39.6 1.0
O A:HOH681 4.6 36.2 1.0
O74 A:R5Q302 4.6 48.6 0.2
O56 A:R5Q302 4.7 32.1 0.2
O40 A:R5Q302 4.7 76.5 0.2
O48 A:R5Q302 4.7 99.6 0.2
CO1 A:R5Q302 4.7 66.9 0.2
CD A:ARG185 4.8 11.5 1.0
NE A:ARG185 4.8 12.4 1.0
O49 A:R5Q302 4.9 97.2 0.2
O60 A:R5Q302 4.9 87.2 0.2
O A:HOH401 4.9 20.4 1.0
O41 A:R5Q302 5.0 92.5 0.2

Tungsten binding site 9 out of 22 in 7a9k

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Tungsten binding site 9 out of 22 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W302

b:91.1
occ:0.20
W20 A:R5Q302 0.0 91.1 0.2
O70 A:R5Q302 1.7 84.7 0.2
O64 A:R5Q302 1.8 96.5 0.2
O69 A:R5Q302 1.9 80.3 0.2
O71 A:R5Q302 1.9 81.4 0.2
O63 A:R5Q302 2.0 96.0 0.2
O62 A:R5Q302 2.4 81.9 0.2
W21 A:R5Q302 3.4 75.5 0.2
O73 A:R5Q302 3.4 64.0 0.2
O A:HOH451 3.4 35.9 1.0
W22 A:R5Q302 3.5 76.2 0.2
SI2 A:R5Q302 3.5 79.7 0.2
O49 A:R5Q302 3.6 97.2 0.2
W15 A:R5Q302 3.6 83.7 0.2
W14 A:R5Q302 3.8 87.0 0.2
O65 A:R5Q302 3.8 86.9 0.2
O60 A:R5Q302 3.9 87.2 0.2
O59 A:R5Q302 4.0 83.3 0.2
O68 A:R5Q302 4.0 70.7 0.2
O51 A:R5Q302 4.3 89.9 0.2
O47 A:R5Q302 4.4 87.1 0.2
O48 A:R5Q302 4.5 99.6 0.2
O50 A:R5Q302 4.5 91.6 0.2
O72 A:R5Q302 4.6 8.2 0.2
O74 A:R5Q302 4.6 48.6 0.2
O A:HOH669 4.7 22.7 1.0
O61 A:R5Q302 4.8 76.2 0.2
O66 A:R5Q302 4.8 69.9 0.2
O67 A:R5Q302 4.9 50.6 0.2
W16 A:R5Q302 5.0 81.1 0.2

Tungsten binding site 10 out of 22 in 7a9k

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Tungsten binding site 10 out of 22 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W302

b:75.5
occ:0.20
W21 A:R5Q302 0.0 75.5 0.2
O72 A:R5Q302 1.7 8.2 0.2
O66 A:R5Q302 1.8 69.9 0.2
O65 A:R5Q302 1.9 86.9 0.2
O73 A:R5Q302 1.9 64.0 0.2
O71 A:R5Q302 1.9 81.4 0.2
O62 A:R5Q302 2.4 81.9 0.2
W20 A:R5Q302 3.4 91.1 0.2
O53 A:R5Q302 3.4 80.1 0.2
W22 A:R5Q302 3.4 76.2 0.2
SI2 A:R5Q302 3.5 79.7 0.2
W17 A:R5Q302 3.6 79.7 0.2
W16 A:R5Q302 3.6 81.1 0.2
O69 A:R5Q302 3.6 80.3 0.2
O61 A:R5Q302 3.7 76.2 0.2
O64 A:R5Q302 3.8 96.5 0.2
O60 A:R5Q302 3.9 87.2 0.2
O67 A:R5Q302 3.9 50.6 0.2
O55 A:R5Q302 4.3 54.5 0.2
O51 A:R5Q302 4.3 89.9 0.2
O54 A:R5Q302 4.5 61.8 0.2
O52 A:R5Q302 4.6 81.9 0.2
O74 A:R5Q302 4.7 48.6 0.2
O70 A:R5Q302 4.7 84.7 0.2
O A:HOH451 4.7 35.9 1.0
O63 A:R5Q302 4.8 96.0 0.2
O59 A:R5Q302 4.9 83.3 0.2
O68 A:R5Q302 4.9 70.7 0.2

Reference:

J.Breibeck, A.Rompel. Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K To Be Published.
Page generated: Fri Nov 5 16:16:39 2021

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