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Tungsten in PDB 6run: Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep

Enzymatic activity of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep

All present enzymatic activity of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep:
3.4.21.64;

Protein crystallography data

The structure of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep, PDB code: 6run was solved by J.Breibeck, A.Bijelic, A.Rompel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 1.10
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 67.860, 67.860, 102.300, 90.00, 90.00, 90.00
R / Rfree (%) 12.7 / 14

Other elements in 6run:

The structure of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep also contains other interesting chemical elements:

Cobalt (Co) 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 Alpha-Keggin Bound to Proteinase K Solved By Ep (pdb code 6run). 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 Alpha-Keggin Bound to Proteinase K Solved By Ep, PDB code: 6run:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 22 in 6run

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Tungsten binding site 1 out of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W301

b:9.3
occ:0.75
 W12 A:WCO301 0.0 9.3 0.8
O40 A:WCO301 1.7 9.4 0.8
O75 A:WCO301 1.7 9.6 0.8
O46 A:WCO301 1.9 9.7 0.8
O41 A:WCO301 1.9 9.7 0.8
O43 A:WCO301 2.1 9.3 0.8
O59 A:WCO301 2.5 9.2 0.8
W19 A:WCO301 3.4 9.6 0.8
W14 A:WCO301 3.5 10.0 0.8
P2 A:WCO301 3.6 8.4 0.8
CO1 A:WCO301 3.6 8.2 0.8
O76 A:WCO301 3.7 8.9 0.8
O47 A:WCO301 3.7 10.1 0.8
W13 A:WCO301 3.7 9.7 0.8
O57 A:WCO301 3.8 9.4 0.8
O49 A:WCO301 3.8 9.2 0.8
O61 A:WCO301 3.9 8.6 0.8
O A:HOH595 3.9 36.9 1.0
O A:HOH586 3.9 26.2 1.0
O60 A:WCO301 3.9 8.9 0.8
O44 A:WCO301 4.4 10.2 0.8
O78 A:WCO301 4.4 9.1 0.8
O A:HOH651 4.7 13.2 1.0
O42 A:WCO301 4.7 9.4 0.8
O58 A:WCO301 4.7 10.6 0.8
O48 A:WCO301 4.8 11.0 0.8
O68 A:WCO301 4.8 8.8 0.8
O62 A:WCO301 4.9 9.0 0.8
O A:HOH413 4.9 12.9 1.0
W18 A:WCO301 4.9 9.1 0.8
O63 A:WCO301 4.9 9.6 0.8

Tungsten binding site 2 out of 22 in 6run

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Tungsten binding site 2 out of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W301

b:9.7
occ:0.75
 W13 A:WCO301 0.0 9.7 0.8
O76 A:WCO301 1.7 8.9 0.8
O42 A:WCO301 1.8 9.4 0.8
O41 A:WCO301 1.9 9.7 0.8
O45 A:WCO301 1.9 9.2 0.8
O44 A:WCO301 2.0 10.2 0.8
O60 A:WCO301 2.5 8.9 0.8
W16 A:WCO301 3.5 10.4 0.8
W15 A:WCO301 3.5 10.4 0.8
P2 A:WCO301 3.6 8.4 0.8
CO1 A:WCO301 3.6 8.2 0.8
O75 A:WCO301 3.7 9.6 0.8
O51 A:WCO301 3.7 10.8 0.8
W12 A:WCO301 3.7 9.3 0.8
O49 A:WCO301 3.8 9.2 0.8
O A:HOH595 3.8 36.9 1.0
O53 A:WCO301 3.9 10.2 0.8
O A:HOH586 3.9 26.2 1.0
O A:HOH621 3.9 31.9 1.0
O61 A:WCO301 3.9 8.6 0.8
O59 A:WCO301 3.9 9.2 0.8
O A:HOH535 4.0 15.8 1.0
O43 A:WCO301 4.4 9.3 0.8
O77 A:WCO301 4.4 9.3 0.8
O40 A:WCO301 4.6 9.4 0.8
O52 A:WCO301 4.7 11.6 0.8
O50 A:WCO301 4.8 10.8 0.8
O62 A:WCO301 4.9 9.0 0.8
O65 A:WCO301 4.9 9.6 0.8
O64 A:WCO301 5.0 9.6 0.8

Tungsten binding site 3 out of 22 in 6run

Go back to Tungsten Binding Sites List in 6run
Tungsten binding site 3 out of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W301

b:10.0
occ:0.75
 W14 A:WCO301 0.0 10.0 0.8
O48 A:WCO301 1.7 11.0 0.8
O43 A:WCO301 1.8 9.3 0.8
O49 A:WCO301 1.9 9.2 0.8
O63 A:WCO301 1.9 9.6 0.8
O47 A:WCO301 1.9 10.1 0.8
O59 A:WCO301 2.5 9.2 0.8
O A:HOH402 3.1 17.2 1.0
W19 A:WCO301 3.4 9.6 0.8
O46 A:WCO301 3.5 9.7 0.8
W12 A:WCO301 3.5 9.3 0.8
P2 A:WCO301 3.6 8.4 0.8
O64 A:WCO301 3.7 9.6 0.8
W15 A:WCO301 3.7 10.4 0.8
W20 A:WCO301 3.7 10.0 0.8
O A:HOH651 3.8 13.2 1.0
O68 A:WCO301 3.8 8.8 0.8
O41 A:WCO301 3.8 9.7 0.8
O60 A:WCO301 3.9 8.9 0.8
O62 A:WCO301 3.9 9.0 0.8
O A:HOH586 3.9 26.2 1.0
O69 A:WCO301 4.3 9.7 0.8
O44 A:WCO301 4.3 10.2 0.8
O A:HOH612 4.5 12.5 1.0
O A:HOH413 4.5 12.9 1.0
O A:HOH401 4.6 12.7 1.0
O40 A:WCO301 4.6 9.4 0.8
O50 A:WCO301 4.6 10.8 0.8
O70 A:WCO301 4.7 10.4 0.8
O A:HOH674 4.7 12.3 1.0
O58 A:WCO301 4.7 10.6 0.8
O57 A:WCO301 4.8 9.4 0.8
O75 A:WCO301 4.9 9.6 0.8
O61 A:WCO301 4.9 8.6 0.8

Tungsten binding site 4 out of 22 in 6run

Go back to Tungsten Binding Sites List in 6run
Tungsten binding site 4 out of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W301

b:10.4
occ:0.75
 W15 A:WCO301 0.0 10.4 0.8
O50 A:WCO301 1.7 10.8 0.8
O44 A:WCO301 1.8 10.2 0.8
O51 A:WCO301 1.9 10.8 0.8
O49 A:WCO301 1.9 9.2 0.8
O64 A:WCO301 2.0 9.6 0.8
O60 A:WCO301 2.5 8.9 0.8
W16 A:WCO301 3.5 10.4 0.8
W13 A:WCO301 3.5 9.7 0.8
O45 A:WCO301 3.6 9.2 0.8
P2 A:WCO301 3.6 8.4 0.8
O A:HOH402 3.6 17.2 1.0
O63 A:WCO301 3.7 9.6 0.8
W14 A:WCO301 3.7 10.0 0.8
W20 A:WCO301 3.7 10.0 0.8
O41 A:WCO301 3.8 9.7 0.8
O65 A:WCO301 3.9 9.6 0.8
O59 A:WCO301 3.9 9.2 0.8
O A:HOH621 3.9 31.9 1.0
O A:HOH586 3.9 26.2 1.0
O62 A:WCO301 3.9 9.0 0.8
O43 A:WCO301 4.2 9.3 0.8
O71 A:WCO301 4.4 10.4 0.8
O48 A:WCO301 4.6 11.0 0.8
O52 A:WCO301 4.7 11.6 0.8
O42 A:WCO301 4.7 9.4 0.8
O70 A:WCO301 4.7 10.4 0.8
O76 A:WCO301 4.8 8.9 0.8
O53 A:WCO301 4.9 10.2 0.8
O61 A:WCO301 4.9 8.6 0.8

Tungsten binding site 5 out of 22 in 6run

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Tungsten binding site 5 out of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W301

b:10.4
occ:0.75
 W16 A:WCO301 0.0 10.4 0.8
O52 A:WCO301 1.7 11.6 0.8
O53 A:WCO301 1.9 10.2 0.8
O65 A:WCO301 1.9 9.6 0.8
O45 A:WCO301 1.9 9.2 0.8
O51 A:WCO301 2.0 10.8 0.8
O60 A:WCO301 2.4 8.9 0.8
W15 A:WCO301 3.5 10.4 0.8
W13 A:WCO301 3.5 9.7 0.8
P2 A:WCO301 3.5 8.4 0.8
O44 A:WCO301 3.6 10.2 0.8
O66 A:WCO301 3.6 9.5 0.8
W21 A:WCO301 3.7 10.3 0.8
W17 A:WCO301 3.7 9.7 0.8
O76 A:WCO301 3.8 8.9 0.8
O62 A:WCO301 3.9 9.0 0.8
O64 A:WCO301 3.9 9.6 0.8
O61 A:WCO301 3.9 8.6 0.8
O A:HOH535 4.0 15.8 1.0
O A:HOH644 4.1 35.5 1.0
O77 A:WCO301 4.3 9.3 0.8
O71 A:WCO301 4.4 10.4 0.8
O A:HOH621 4.4 31.9 1.0
O54 A:WCO301 4.6 10.3 0.8
O72 A:WCO301 4.6 18.1 0.8
O A:HOH658 4.7 28.3 1.0
O50 A:WCO301 4.7 10.8 0.8
O42 A:WCO301 4.8 9.4 0.8
O49 A:WCO301 4.8 9.2 0.8
O59 A:WCO301 4.9 9.2 0.8
O41 A:WCO301 4.9 9.7 0.8
CO1 A:WCO301 5.0 8.2 0.8

Tungsten binding site 6 out of 22 in 6run

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Tungsten binding site 6 out of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W301

b:9.7
occ:0.75
 W17 A:WCO301 0.0 9.7 0.8
O54 A:WCO301 1.7 10.3 0.8
O77 A:WCO301 1.7 9.3 0.8
O55 A:WCO301 1.9 10.0 0.8
O53 A:WCO301 1.9 10.2 0.8
O66 A:WCO301 2.0 9.5 0.8
O61 A:WCO301 2.4 8.6 0.8
CO1 A:WCO301 3.3 8.2 0.8
W18 A:WCO301 3.4 9.1 0.8
P2 A:WCO301 3.6 8.4 0.8
O78 A:WCO301 3.6 9.1 0.8
O65 A:WCO301 3.7 9.6 0.8
W16 A:WCO301 3.7 10.4 0.8
W21 A:WCO301 3.8 10.3 0.8
O67 A:WCO301 3.9 9.4 0.8
O60 A:WCO301 3.9 8.9 0.8
O76 A:WCO301 3.9 8.9 0.8
O62 A:WCO301 4.0 9.0 0.8
O A:HOH637 4.1 20.5 1.0
O45 A:WCO301 4.3 9.2 0.8
O73 A:WCO301 4.5 9.3 0.8
O52 A:WCO301 4.6 11.6 0.8
O56 A:WCO301 4.6 9.3 0.8
O72 A:WCO301 4.8 18.1 0.8
O57 A:WCO301 4.9 9.4 0.8
O59 A:WCO301 4.9 9.2 0.8

Tungsten binding site 7 out of 22 in 6run

Go back to Tungsten Binding Sites List in 6run
Tungsten binding site 7 out of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W301

b:9.1
occ:0.75
 W18 A:WCO301 0.0 9.1 0.8
O78 A:WCO301 1.7 9.1 0.8
O56 A:WCO301 1.7 9.3 0.8
O55 A:WCO301 1.9 10.0 0.8
O57 A:WCO301 1.9 9.4 0.8
O67 A:WCO301 2.0 9.4 0.8
O61 A:WCO301 2.4 8.6 0.8
CO1 A:WCO301 3.3 8.2 0.8
W17 A:WCO301 3.4 9.7 0.8
P2 A:WCO301 3.5 8.4 0.8
O77 A:WCO301 3.6 9.3 0.8
W19 A:WCO301 3.7 9.6 0.8
O68 A:WCO301 3.7 8.8 0.8
W22 A:WCO301 3.8 9.8 0.8
O59 A:WCO301 3.8 9.2 0.8
O66 A:WCO301 3.8 9.5 0.8
O75 A:WCO301 3.9 9.6 0.8
O62 A:WCO301 3.9 9.0 0.8
O A:HOH637 4.1 20.5 1.0
O46 A:WCO301 4.4 9.7 0.8
O73 A:WCO301 4.5 9.3 0.8
O58 A:WCO301 4.6 10.6 0.8
O54 A:WCO301 4.6 10.3 0.8
O74 A:WCO301 4.7 10.5 0.8
O60 A:WCO301 4.8 8.9 0.8
O53 A:WCO301 4.8 10.2 0.8
W12 A:WCO301 4.9 9.3 0.8
O76 A:WCO301 4.9 8.9 0.8

Tungsten binding site 8 out of 22 in 6run

Go back to Tungsten Binding Sites List in 6run
Tungsten binding site 8 out of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W301

b:9.6
occ:0.75
 W19 A:WCO301 0.0 9.6 0.8
O58 A:WCO301 1.7 10.6 0.8
O68 A:WCO301 1.9 8.8 0.8
O47 A:WCO301 1.9 10.1 0.8
O57 A:WCO301 1.9 9.4 0.8
O46 A:WCO301 1.9 9.7 0.8
O59 A:WCO301 2.4 9.2 0.8
O A:HOH401 2.6 12.7 1.0
O A:HOH413 3.3 12.9 1.0
W12 A:WCO301 3.4 9.3 0.8
W14 A:WCO301 3.4 10.0 0.8
O43 A:WCO301 3.6 9.3 0.8
P2 A:WCO301 3.6 8.4 0.8
O67 A:WCO301 3.6 9.4 0.8
W22 A:WCO301 3.7 9.8 0.8
W18 A:WCO301 3.7 9.1 0.8
O75 A:WCO301 3.8 9.6 0.8
O63 A:WCO301 3.9 9.6 0.8
O61 A:WCO301 3.9 8.6 0.8
O62 A:WCO301 3.9 9.0 0.8
O69 A:WCO301 4.3 9.7 0.8
O78 A:WCO301 4.4 9.1 0.8
O56 A:WCO301 4.6 9.3 0.8
O74 A:WCO301 4.6 10.5 0.8
O40 A:WCO301 4.6 9.4 0.8
O48 A:WCO301 4.7 11.0 0.8
O49 A:WCO301 4.8 9.2 0.8
O41 A:WCO301 4.9 9.7 0.8
O60 A:WCO301 4.9 8.9 0.8

Tungsten binding site 9 out of 22 in 6run

Go back to Tungsten Binding Sites List in 6run
Tungsten binding site 9 out of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W301

b:10.0
occ:0.75
 W20 A:WCO301 0.0 10.0 0.8
O70 A:WCO301 1.7 10.4 0.8
O69 A:WCO301 1.9 9.7 0.8
O71 A:WCO301 1.9 10.4 0.8
O64 A:WCO301 1.9 9.6 0.8
O63 A:WCO301 2.0 9.6 0.8
O62 A:WCO301 2.5 9.0 0.8
O A:HOH402 2.7 17.2 1.0
W21 A:WCO301 3.4 10.3 0.8
O73 A:WCO301 3.5 9.3 0.8
W22 A:WCO301 3.5 9.8 0.8
P2 A:WCO301 3.6 8.4 0.8
O49 A:WCO301 3.7 9.2 0.8
W15 A:WCO301 3.7 10.4 0.8
W14 A:WCO301 3.7 10.0 0.8
O65 A:WCO301 3.9 9.6 0.8
O68 A:WCO301 3.9 8.8 0.8
O59 A:WCO301 3.9 9.2 0.8
O60 A:WCO301 3.9 8.9 0.8
O A:HOH567 4.1 13.9 1.0
O47 A:WCO301 4.3 10.1 0.8
O51 A:WCO301 4.3 10.8 0.8
O48 A:WCO301 4.6 11.0 0.8
O72 A:WCO301 4.6 18.1 0.8
O A:HOH674 4.6 12.3 1.0
O50 A:WCO301 4.6 10.8 0.8
O74 A:WCO301 4.7 10.5 0.8
O66 A:WCO301 4.8 9.5 0.8
O67 A:WCO301 4.9 9.4 0.8
O61 A:WCO301 4.9 8.6 0.8

Tungsten binding site 10 out of 22 in 6run

Go back to Tungsten Binding Sites List in 6run
Tungsten binding site 10 out of 22 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W301

b:10.3
occ:0.75
 W21 A:WCO301 0.0 10.3 0.8
O72 A:WCO301 1.7 18.1 0.8
O65 A:WCO301 1.9 9.6 0.8
O73 A:WCO301 1.9 9.3 0.8
O66 A:WCO301 1.9 9.5 0.8
O71 A:WCO301 1.9 10.4 0.8
O62 A:WCO301 2.4 9.0 0.8
W20 A:WCO301 3.4 10.0 0.8
W22 A:WCO301 3.5 9.8 0.8
P2 A:WCO301 3.6 8.4 0.8
O69 A:WCO301 3.6 9.7 0.8
O53 A:WCO301 3.6 10.2 0.8
W16 A:WCO301 3.7 10.4 0.8
W17 A:WCO301 3.8 9.7 0.8
O64 A:WCO301 3.8 9.6 0.8
O67 A:WCO301 3.9 9.4 0.8
O60 A:WCO301 3.9 8.9 0.8
O61 A:WCO301 3.9 8.6 0.8
O A:HOH602 4.1 19.8 1.0
O A:HOH637 4.2 20.5 1.0
O55 A:WCO301 4.2 10.0 0.8
O51 A:WCO301 4.3 10.8 0.8
O52 A:WCO301 4.5 11.6 0.8
O54 A:WCO301 4.6 10.3 0.8
O70 A:WCO301 4.6 10.4 0.8
O74 A:WCO301 4.7 10.5 0.8
O A:HOH644 4.8 35.5 1.0
O59 A:WCO301 4.8 9.2 0.8
O63 A:WCO301 4.9 9.6 0.8
O68 A:WCO301 4.9 8.8 0.8

Reference:

J.Breibeck, A.Bijelic, A.Rompel. Transition Metal-Substituted Keggin Polyoxotungstates Enabling Covalent Attachment to Proteinase K Upon Co-Crystallization. Chem.Commun.(Camb.) V. 55 11519 2019.
ISSN: ESSN 1364-548X
PubMed: 31490500
DOI: 10.1039/C9CC05818D
Page generated: Sat Oct 12 08:50:52 2024

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