Tungsten in PDB 6ruk: Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr

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

The structure of Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr, PDB code: 6ruk 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)	34.99 / 1.20
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.920, 67.920, 102.180, 90.00, 90.00, 90.00
R / Rfree (%)	14.9 / 16.7

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

Copper

(Cu)

5 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 - 55;

Binding sites:

The binding sites of Tungsten atom in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr (pdb code 6ruk). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 55 binding sites of Tungsten where determined in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr, PDB code: 6ruk:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 55 in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:26.6 occ:0.36 W12 A:XCU301 0.0 26.6 0.4 W21 A:XCU301 0.2 9.4 0.2 W14 A:XCU301 1.3 21.9 0.2 O43 A:XCU301 1.3 28.6 0.2 O48 A:XCU301 1.6 23.9 0.2 O40 A:XCU301 1.7 23.8 0.4 O75 A:XCU301 1.7 20.5 0.4 O66 A:XCU301 1.7 11.4 0.2 O72 A:XCU301 1.7 11.1 0.2 O65 A:XCU301 1.7 20.3 0.2 O41 A:XCU301 1.9 21.9 0.4 O46 A:XCU301 1.9 21.8 0.4 O73 A:XCU301 2.0 17.5 0.2 O71 A:XCU301 2.1 18.5 0.2 O43 A:XCU301 2.1 16.9 0.4 O47 A:XCU301 2.1 21.6 0.2 O62 A:XCU301 2.4 20.2 0.2 O59 A:XCU301 2.4 18.7 0.4 O49 A:XCU301 2.7 23.8 0.2 O63 A:XCU301 3.1 19.8 0.2 O59 A:XCU301 3.1 24.4 0.2 O46 A:XCU301 3.2 25.5 0.2 O53 A:XCU301 3.2 23.7 0.2 W12 A:XCU301 3.2 25.6 0.2 W16 A:XCU301 3.4 28.5 0.2 P2 A:XCU301 3.4 20.2 0.2 W17 A:XCU301 3.4 18.1 0.2 W19 A:XCU301 3.5 14.7 0.4 W14 A:XCU301 3.5 14.9 0.4 O61 A:XCU301 3.6 18.1 0.2 P2 A:XCU301 3.6 14.4 0.4 W20 A:XCU301 3.6 23.7 0.2 W13 A:XCU301 3.6 16.8 0.4 W22 A:XCU301 3.6 24.5 0.2 O76 A:XCU301 3.6 16.9 0.4 W19 A:XCU301 3.6 20.3 0.2 O60 A:XCU301 3.6 26.2 0.2 CU1 A:XCU301 3.6 17.1 0.4 O47 A:XCU301 3.7 14.2 0.4 O69 A:XCU301 3.8 24.9 0.2 O60 A:XCU301 3.8 17.9 0.4 O67 A:XCU301 3.8 23.7 0.2 O57 A:XCU301 3.8 15.2 0.4 O49 A:XCU301 3.9 15.0 0.4 O64 A:XCU301 3.9 26.3 0.2 O41 A:XCU301 3.9 29.6 0.2 O40 A:XCU301 3.9 27.1 0.2 O61 A:XCU301 4.0 18.0 0.4 O55 A:XCU301 4.1 16.8 0.2 O51 A:XCU301 4.1 27.9 0.2 N A:MET55 4.2 8.6 1.0 O54 A:XCU301 4.3 15.1 0.2 O44 A:XCU301 4.3 19.0 0.4 O78 A:XCU301 4.4 15.4 0.4 CB A:ALA44 4.4 9.7 1.0 CB A:MET55 4.5 8.6 1.0 O52 A:XCU301 4.5 28.5 0.2 P2 A:XCU301 4.5 19.9 0.2 O58 A:XCU301 4.6 21.0 0.2 O68 A:XCU301 4.6 23.4 0.2 W15 A:XCU301 4.6 19.1 0.2 O42 A:XCU301 4.6 19.5 0.4 O75 A:XCU301 4.7 25.1 0.2 O58 A:XCU301 4.7 14.3 0.4 CG A:MET55 4.7 8.7 1.0 O74 A:XCU301 4.8 27.1 0.2 CA A:GLN54 4.8 10.4 1.0 O60 A:XCU301 4.8 22.6 0.2 O64 A:XCU301 4.8 18.8 0.2 O59 A:XCU301 4.8 22.4 0.2 O48 A:XCU301 4.8 19.9 0.4 O70 A:XCU301 4.9 22.6 0.2 O68 A:XCU301 4.9 12.4 0.4 O44 A:XCU301 4.9 23.9 0.2 O63 A:XCU301 4.9 17.2 0.4 W15 A:XCU301 4.9 27.1 0.2 CA A:MET55 4.9 8.8 1.0 W18 A:XCU301 4.9 17.6 0.2 W18 A:XCU301 4.9 14.2 0.4 O62 A:XCU301 4.9 15.7 0.4 O77 A:XCU301 5.0 21.8 0.2 O63 A:XCU301 5.0 25.3 0.2

Tungsten binding site 2 out of 55 in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:27.2 occ:0.14 W12 A:XCU301 0.0 27.2 0.1 O60 A:XCU301 0.8 32.0 0.1 O40 A:XCU301 1.7 28.3 0.1 O75 A:XCU301 1.7 34.2 0.1 O45 A:XCU301 1.8 30.5 0.1 W13 A:XCU301 1.9 27.4 0.1 O41 A:XCU301 1.9 31.3 0.1 O46 A:XCU301 1.9 30.5 0.1 O43 A:XCU301 2.0 32.3 0.1 W16 A:XCU301 2.1 29.2 0.1 O76 A:XCU301 2.2 31.1 0.1 P2 A:XCU301 2.2 32.5 0.1 O44 A:XCU301 2.4 32.9 0.1 O59 A:XCU301 2.4 32.7 0.1 O51 A:XCU301 2.5 33.1 0.1 O53 A:XCU301 2.6 34.7 0.1 W15 A:XCU301 2.7 33.4 0.1 O41 A:XCU301 2.9 25.3 0.1 O61 A:XCU301 2.9 32.4 0.1 O65 A:XCU301 3.1 34.1 0.1 O59 A:XCU301 3.2 32.2 0.1 O62 A:XCU301 3.3 35.7 0.1 W14 A:XCU301 3.3 34.1 0.1 O49 A:XCU301 3.4 35.3 0.1 W19 A:XCU301 3.5 30.1 0.1 O64 A:XCU301 3.5 37.9 0.1 P2 A:XCU301 3.5 32.7 0.1 O42 A:XCU301 3.5 28.7 0.1 O76 A:XCU301 3.6 34.7 0.1 O47 A:XCU301 3.6 34.0 0.1 CU1 A:XCU301 3.6 37.5 0.1 W13 A:XCU301 3.7 27.0 0.1 O52 A:XCU301 3.7 28.2 0.1 O49 A:XCU301 3.8 35.8 0.1 O60 A:XCU301 3.8 32.0 0.1 W17 A:XCU301 3.8 32.1 0.1 O77 A:XCU301 3.8 31.9 0.1 CU1 A:XCU301 3.8 30.6 0.1 O75 A:XCU301 4.0 27.9 0.1 O57 A:XCU301 4.0 34.0 0.1 O61 A:XCU301 4.0 33.6 0.1 W12 A:XCU301 4.0 25.5 0.1 O66 A:XCU301 4.1 36.2 0.1 O50 A:XCU301 4.2 31.0 0.1 W21 A:XCU301 4.3 34.7 0.1 O44 A:XCU301 4.3 32.5 0.1 O43 A:XCU301 4.4 31.3 0.1 O78 A:XCU301 4.4 36.0 0.1 W14 A:XCU301 4.4 33.1 0.1 O63 A:XCU301 4.5 36.4 0.1 W20 A:XCU301 4.6 36.0 0.1 O48 A:XCU301 4.7 34.5 0.1 O63 A:XCU301 4.7 36.7 0.1 O58 A:XCU301 4.7 31.7 0.1 O71 A:XCU301 4.7 36.8 0.1 O42 A:XCU301 4.8 27.0 0.1 O50 A:XCU301 4.8 20.6 0.4 O68 A:XCU301 4.9 33.9 0.1 O62 A:XCU301 4.9 34.5 0.1 W15 A:XCU301 5.0 31.5 0.1 CU1 A:XCU301 5.0 25.1 0.2 W18 A:XCU301 5.0 31.6 0.1

Tungsten binding site 3 out of 55 in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:25.6 occ:0.18 W12 A:XCU301 0.0 25.6 0.2 O61 A:XCU301 0.5 18.1 0.2 O49 A:XCU301 0.7 15.0 0.4 O40 A:XCU301 1.7 27.1 0.2 O75 A:XCU301 1.7 25.1 0.2 P2 A:XCU301 1.8 20.2 0.2 W17 A:XCU301 1.9 18.1 0.2 O41 A:XCU301 1.9 29.6 0.2 O46 A:XCU301 1.9 25.5 0.2 W14 A:XCU301 2.0 14.9 0.4 O43 A:XCU301 2.0 28.6 0.2 W15 A:XCU301 2.0 17.9 0.4 O43 A:XCU301 2.2 16.9 0.4 O55 A:XCU301 2.2 16.8 0.2 O44 A:XCU301 2.4 19.0 0.4 O66 A:XCU301 2.4 11.4 0.2 O60 A:XCU301 2.4 17.9 0.4 O59 A:XCU301 2.4 18.7 0.4 O77 A:XCU301 2.4 21.8 0.2 O59 A:XCU301 2.4 24.4 0.2 O62 A:XCU301 2.5 20.2 0.2 W18 A:XCU301 2.5 17.6 0.2 O41 A:XCU301 2.6 21.9 0.4 O60 A:XCU301 2.6 26.2 0.2 O53 A:XCU301 2.6 23.7 0.2 O64 A:XCU301 2.8 17.7 0.4 O63 A:XCU301 2.8 17.2 0.4 O78 A:XCU301 2.9 24.4 0.2 P2 A:XCU301 2.9 14.4 0.4 O67 A:XCU301 2.9 23.7 0.2 O59 A:XCU301 3.0 22.4 0.2 CU1 A:XCU301 3.0 25.1 0.2 O76 A:XCU301 3.1 28.8 0.2 W12 A:XCU301 3.2 26.6 0.4 O50 A:XCU301 3.2 20.6 0.4 O48 A:XCU301 3.3 19.9 0.4 W21 A:XCU301 3.3 9.4 0.2 W13 A:XCU301 3.3 16.8 0.4 W14 A:XCU301 3.4 21.9 0.2 O57 A:XCU301 3.4 20.6 0.2 O75 A:XCU301 3.4 24.6 0.2 W19 A:XCU301 3.5 20.3 0.2 O76 A:XCU301 3.6 26.2 0.2 P2 A:XCU301 3.6 19.9 0.2 O65 A:XCU301 3.6 20.3 0.2 O54 A:XCU301 3.6 15.1 0.2 CU1 A:XCU301 3.6 24.1 0.2 O47 A:XCU301 3.6 14.2 0.4 O62 A:XCU301 3.6 15.7 0.4 O51 A:XCU301 3.7 20.2 0.4 W13 A:XCU301 3.7 24.6 0.2 O47 A:XCU301 3.7 21.6 0.2 W16 A:XCU301 3.7 28.5 0.2 O73 A:XCU301 3.7 17.5 0.2 W22 A:XCU301 3.8 24.5 0.2 O60 A:XCU301 3.8 22.6 0.2 W20 A:XCU301 3.8 14.9 0.4 O49 A:XCU301 3.8 23.8 0.2 O57 A:XCU301 3.9 23.0 0.2 O61 A:XCU301 4.1 20.6 0.2 W13 A:XCU301 4.1 25.4 0.2 O45 A:XCU301 4.1 28.9 0.2 O56 A:XCU301 4.1 15.7 0.2 O46 A:XCU301 4.2 21.8 0.4 O68 A:XCU301 4.2 20.7 0.2 O76 A:XCU301 4.2 16.9 0.4 O45 A:XCU301 4.3 18.5 0.4 O75 A:XCU301 4.3 20.5 0.4 CU1 A:XCU301 4.3 30.6 0.1 O61 A:XCU301 4.3 18.0 0.4 O44 A:XCU301 4.4 23.9 0.2 O41 A:XCU301 4.4 26.9 0.2 W12 A:XCU301 4.4 23.3 0.2 W19 A:XCU301 4.4 19.2 0.2 W19 A:XCU301 4.5 14.7 0.4 O78 A:XCU301 4.5 24.9 0.2 O40 A:XCU301 4.5 23.8 0.4 O71 A:XCU301 4.5 18.5 0.2 W16 A:XCU301 4.5 16.1 0.4 O42 A:XCU301 4.7 19.5 0.4 O48 A:XCU301 4.7 23.9 0.2 O46 A:XCU301 4.7 22.3 0.2 O72 A:XCU301 4.7 11.1 0.2 O58 A:XCU301 4.7 21.0 0.2 O42 A:XCU301 4.8 28.4 0.2 O51 A:XCU301 4.8 27.9 0.2 O63 A:XCU301 4.8 19.8 0.2 O69 A:XCU301 4.8 24.9 0.2 O68 A:XCU301 4.8 12.4 0.4 O65 A:XCU301 4.8 17.9 0.4 O78 A:XCU301 4.8 30.8 0.1 W20 A:XCU301 4.9 23.7 0.2 O64 A:XCU301 4.9 26.3 0.2 CU1 A:XCU301 4.9 37.5 0.1 O62 A:XCU301 4.9 19.3 0.2 O69 A:XCU301 4.9 19.7 0.4 O68 A:XCU301 4.9 23.4 0.2 O70 A:XCU301 5.0 13.5 0.4 W15 A:XCU301 5.0 27.1 0.2

Tungsten binding site 4 out of 55 in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:23.3 occ:0.17 W12 A:XCU301 0.0 23.3 0.2 O65 A:XCU301 1.7 17.9 0.4 O40 A:XCU301 1.7 13.3 0.2 O75 A:XCU301 1.7 24.6 0.2 O41 A:XCU301 1.9 26.9 0.2 O46 A:XCU301 1.9 22.3 0.2 O43 A:XCU301 2.0 26.0 0.2 O64 A:XCU301 2.1 17.7 0.4 O71 A:XCU301 2.1 15.6 0.4 O51 A:XCU301 2.2 20.2 0.4 O59 A:XCU301 2.4 22.4 0.2 W21 A:XCU301 2.7 15.1 0.4 W16 A:XCU301 2.8 16.1 0.4 W20 A:XCU301 2.9 14.9 0.4 W15 A:XCU301 3.1 17.9 0.4 O62 A:XCU301 3.2 15.7 0.4 O60 A:XCU301 3.3 17.9 0.4 W14 A:XCU301 3.4 25.1 0.2 O75 A:XCU301 3.4 25.1 0.2 O72 A:XCU301 3.5 12.5 0.4 W19 A:XCU301 3.5 19.2 0.2 P2 A:XCU301 3.5 20.2 0.2 O76 A:XCU301 3.5 28.8 0.2 W13 A:XCU301 3.6 25.4 0.2 O52 A:XCU301 3.6 16.1 0.4 CU1 A:XCU301 3.7 25.1 0.2 O47 A:XCU301 3.7 23.0 0.2 O70 A:XCU301 3.8 13.5 0.4 O78 A:XCU301 3.8 24.9 0.2 O49 A:XCU301 3.9 25.0 0.2 P2 A:XCU301 3.9 14.4 0.4 O46 A:XCU301 3.9 25.5 0.2 O57 A:XCU301 3.9 20.6 0.2 O60 A:XCU301 4.0 26.2 0.2 O50 A:XCU301 4.0 20.6 0.4 O61 A:XCU301 4.0 18.1 0.2 O66 A:XCU301 4.0 16.8 0.4 O53 A:XCU301 4.0 16.1 0.4 O40 A:XCU301 4.1 27.1 0.2 O73 A:XCU301 4.2 16.0 0.4 O57 A:XCU301 4.2 23.0 0.2 O49 A:XCU301 4.3 15.0 0.4 CU1 A:XCU301 4.3 24.1 0.2 O69 A:XCU301 4.3 19.7 0.4 O78 A:XCU301 4.3 24.4 0.2 O63 A:XCU301 4.3 17.2 0.4 O44 A:XCU301 4.4 24.7 0.2 O45 A:XCU301 4.4 18.5 0.4 W12 A:XCU301 4.4 25.6 0.2 O44 A:XCU301 4.5 19.0 0.4 CU1 A:XCU301 4.6 30.6 0.1 O76 A:XCU301 4.6 31.1 0.1 O42 A:XCU301 4.7 27.8 0.2 O58 A:XCU301 4.7 21.6 0.2 O48 A:XCU301 4.8 28.8 0.2 O63 A:XCU301 4.8 25.3 0.2 O77 A:XCU301 4.9 31.9 0.1 O68 A:XCU301 4.9 20.7 0.2 O62 A:XCU301 4.9 20.2 0.2 O61 A:XCU301 4.9 18.0 0.4 W18 A:XCU301 4.9 17.6 0.2 W18 A:XCU301 4.9 19.4 0.2 O42 A:XCU301 4.9 28.7 0.1

Tungsten binding site 5 out of 55 in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:25.5 occ:0.15 W12 A:XCU301 0.0 25.5 0.1 O40 A:XCU301 1.7 28.7 0.1 O75 A:XCU301 1.7 27.9 0.1 O78 A:XCU301 1.8 36.0 0.1 O41 A:XCU301 1.9 25.3 0.1 O46 A:XCU301 1.9 32.5 0.1 O57 A:XCU301 1.9 34.0 0.1 O43 A:XCU301 2.0 31.3 0.1 W18 A:XCU301 2.4 31.6 0.1 O59 A:XCU301 2.4 32.2 0.1 O75 A:XCU301 2.7 34.2 0.1 O56 A:XCU301 2.9 27.4 0.1 O46 A:XCU301 3.2 30.5 0.1 CU1 A:XCU301 3.3 37.5 0.1 W14 A:XCU301 3.3 33.1 0.1 W19 A:XCU301 3.4 30.1 0.1 W19 A:XCU301 3.5 32.9 0.1 O76 A:XCU301 3.5 31.1 0.1 P2 A:XCU301 3.6 32.5 0.1 W13 A:XCU301 3.6 27.4 0.1 O47 A:XCU301 3.6 35.9 0.1 O61 A:XCU301 3.7 33.6 0.1 CU1 A:XCU301 3.7 30.6 0.1 O60 A:XCU301 3.8 32.0 0.1 O49 A:XCU301 3.8 35.3 0.1 O58 A:XCU301 3.9 31.7 0.1 O57 A:XCU301 4.0 33.0 0.1 O61 A:XCU301 4.0 32.4 0.1 O50 A:XCU301 4.0 20.6 0.4 W12 A:XCU301 4.0 27.2 0.1 O59 A:XCU301 4.1 32.7 0.1 O55 A:XCU301 4.1 35.3 0.1 O67 A:XCU301 4.1 35.0 0.1 O44 A:XCU301 4.3 32.9 0.1 O78 A:XCU301 4.4 30.8 0.1 O68 A:XCU301 4.4 33.9 0.1 O76 A:XCU301 4.5 28.8 0.2 CU1 A:XCU301 4.5 25.1 0.2 P2 A:XCU301 4.5 32.7 0.1 O77 A:XCU301 4.6 37.3 0.1 O77 A:XCU301 4.6 21.8 0.2 O48 A:XCU301 4.7 32.1 0.1 O42 A:XCU301 4.7 28.7 0.1 O40 A:XCU301 4.7 28.3 0.1 O58 A:XCU301 4.7 33.1 0.1 O63 A:XCU301 4.7 36.4 0.1 O42 A:XCU301 4.8 27.8 0.2 O68 A:XCU301 4.9 34.6 0.1 O62 A:XCU301 4.9 35.7 0.1 W18 A:XCU301 5.0 29.0 0.1

Tungsten binding site 6 out of 55 in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:16.8 occ:0.36 W13 A:XCU301 0.0 16.8 0.4 W16 A:XCU301 1.0 28.5 0.2 O45 A:XCU301 1.6 28.9 0.2 O60 A:XCU301 1.6 26.2 0.2 O76 A:XCU301 1.6 16.9 0.4 O51 A:XCU301 1.7 27.9 0.2 O42 A:XCU301 1.7 19.5 0.4 O41 A:XCU301 1.9 21.9 0.4 O45 A:XCU301 1.9 18.5 0.4 O44 A:XCU301 2.0 19.0 0.4 O53 A:XCU301 2.2 23.7 0.2 O40 A:XCU301 2.2 27.1 0.2 O65 A:XCU301 2.3 20.3 0.2 O60 A:XCU301 2.5 17.9 0.4 O52 A:XCU301 2.6 28.5 0.2 W13 A:XCU301 2.7 25.4 0.2 W15 A:XCU301 2.8 27.1 0.2 O44 A:XCU301 2.8 24.7 0.2 P2 A:XCU301 3.0 20.2 0.2 O76 A:XCU301 3.1 28.8 0.2 O43 A:XCU301 3.1 28.6 0.2 OG A:SER63 3.2 15.8 0.5 W12 A:XCU301 3.3 25.6 0.2 O46 A:XCU301 3.4 25.5 0.2 W16 A:XCU301 3.5 16.1 0.4 W15 A:XCU301 3.5 17.9 0.4 O64 A:XCU301 3.5 26.3 0.2 O61 A:XCU301 3.5 18.1 0.2 O62 A:XCU301 3.6 20.2 0.2 CU1 A:XCU301 3.6 17.1 0.4 W12 A:XCU301 3.6 26.6 0.4 P2 A:XCU301 3.6 14.4 0.4 O75 A:XCU301 3.6 20.5 0.4 O51 A:XCU301 3.7 20.2 0.4 W21 A:XCU301 3.7 9.4 0.2 W17 A:XCU301 3.7 18.1 0.2 O66 A:XCU301 3.8 11.4 0.2 O53 A:XCU301 3.9 16.1 0.4 O59 A:XCU301 3.9 18.7 0.4 O49 A:XCU301 3.9 15.0 0.4 O61 A:XCU301 4.0 18.0 0.4 O49 A:XCU301 4.1 25.0 0.2 O42 A:XCU301 4.1 27.8 0.2 O41 A:XCU301 4.1 26.9 0.2 O77 A:XCU301 4.2 21.8 0.2 O A:HOH468 4.2 24.8 1.0 O50 A:XCU301 4.2 24.9 0.2 O71 A:XCU301 4.2 18.5 0.2 O59 A:XCU301 4.2 22.4 0.2 O43 A:XCU301 4.3 16.9 0.4 O77 A:XCU301 4.4 13.7 0.4 CB A:SER63 4.4 13.3 0.5 CB A:SER63 4.5 13.3 0.5 O40 A:XCU301 4.6 23.8 0.4 O41 A:XCU301 4.6 29.6 0.2 O47 A:XCU301 4.6 21.6 0.2 O75 A:XCU301 4.6 25.1 0.2 W20 A:XCU301 4.7 23.7 0.2 W14 A:XCU301 4.7 21.9 0.2 O52 A:XCU301 4.7 16.1 0.4 O50 A:XCU301 4.7 20.6 0.4 CU1 A:XCU301 4.8 25.1 0.2 OG A:SER63 4.8 15.8 0.5 O72 A:XCU301 4.9 11.1 0.2 O65 A:XCU301 4.9 17.9 0.4 O54 A:XCU301 4.9 15.1 0.2 CB A:MET55 4.9 8.6 1.0 O48 A:XCU301 4.9 23.9 0.2 O64 A:XCU301 5.0 17.7 0.4 W17 A:XCU301 5.0 15.5 0.4 O62 A:XCU301 5.0 15.7 0.4

Tungsten binding site 7 out of 55 in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:27.0 occ:0.14 W13 A:XCU301 0.0 27.0 0.1 W17 A:XCU301 0.5 32.1 0.1 O53 A:XCU301 1.5 34.7 0.1 O76 A:XCU301 1.7 34.7 0.1 O54 A:XCU301 1.7 32.1 0.1 O66 A:XCU301 1.7 36.2 0.1 O42 A:XCU301 1.7 27.0 0.1 O41 A:XCU301 1.9 31.3 0.1 O45 A:XCU301 2.0 30.7 0.1 O44 A:XCU301 2.0 32.5 0.1 O77 A:XCU301 2.1 31.9 0.1 O55 A:XCU301 2.4 34.0 0.1 O60 A:XCU301 2.5 32.0 0.1 O61 A:XCU301 2.6 32.4 0.1 O A:HOH403 3.1 21.5 1.0 O65 A:XCU301 3.2 34.1 0.1 W16 A:XCU301 3.2 29.2 0.1 W21 A:XCU301 3.3 34.7 0.1 W15 A:XCU301 3.5 31.5 0.1 W16 A:XCU301 3.5 29.9 0.1 P2 A:XCU301 3.5 32.5 0.1 O51 A:XCU301 3.6 33.5 0.1 W12 A:XCU301 3.7 27.2 0.1 P2 A:XCU301 3.7 32.7 0.1 CU1 A:XCU301 3.7 37.5 0.1 O60 A:XCU301 3.7 32.0 0.1 O75 A:XCU301 3.8 34.2 0.1 O62 A:XCU301 3.8 35.7 0.1 O53 A:XCU301 3.8 33.9 0.1 O49 A:XCU301 3.9 35.8 0.1 O76 A:XCU301 3.9 31.1 0.1 CU1 A:XCU301 3.9 30.6 0.1 W18 A:XCU301 3.9 29.0 0.1 O59 A:XCU301 4.0 32.7 0.1 O78 A:XCU301 4.1 30.8 0.1 O67 A:XCU301 4.1 32.0 0.1 O52 A:XCU301 4.1 28.2 0.1 O61 A:XCU301 4.1 33.6 0.1 O72 A:XCU301 4.2 38.0 0.1 O45 A:XCU301 4.2 30.5 0.1 O73 A:XCU301 4.3 36.3 0.1 O43 A:XCU301 4.4 32.3 0.1 O77 A:XCU301 4.4 37.3 0.1 O40 A:XCU301 4.6 28.3 0.1 O50 A:XCU301 4.7 33.8 0.1 O65 A:XCU301 4.8 32.9 0.1 CU1 A:XCU301 4.9 25.1 0.2 CU1 A:XCU301 4.9 24.1 0.2 O64 A:XCU301 4.9 33.8 0.1 O59 A:XCU301 4.9 32.2 0.1 O50 A:XCU301 5.0 20.6 0.4 W13 A:XCU301 5.0 27.4 0.1 O52 A:XCU301 5.0 30.7 0.1 O78 A:XCU301 5.0 24.4 0.2 O51 A:XCU301 5.0 33.1 0.1

Tungsten binding site 8 out of 55 in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:24.6 occ:0.18 W13 A:XCU301 0.0 24.6 0.2 O55 A:XCU301 1.6 16.8 0.2 O76 A:XCU301 1.7 26.2 0.2 O42 A:XCU301 1.7 28.4 0.2 O48 A:XCU301 1.9 19.9 0.4 O41 A:XCU301 1.9 29.6 0.2 O45 A:XCU301 1.9 25.1 0.2 O44 A:XCU301 2.0 23.9 0.2 O60 A:XCU301 2.5 22.6 0.2 W17 A:XCU301 2.9 18.1 0.2 W18 A:XCU301 2.9 17.6 0.2 O56 A:XCU301 3.0 15.7 0.2 O78 A:XCU301 3.0 24.4 0.2 O54 A:XCU301 3.0 15.1 0.2 O77 A:XCU301 3.0 21.8 0.2 W14 A:XCU301 3.1 14.9 0.4 O49 A:XCU301 3.2 15.0 0.4 O77 A:XCU301 3.3 37.3 0.1 O78 A:XCU301 3.3 30.8 0.1 W16 A:XCU301 3.5 19.6 0.2 W15 A:XCU301 3.5 19.1 0.2 O43 A:XCU301 3.5 16.9 0.4 O51 A:XCU301 3.6 19.1 0.2 P2 A:XCU301 3.7 19.9 0.2 W12 A:XCU301 3.7 25.6 0.2 CU1 A:XCU301 3.7 24.1 0.2 O56 A:XCU301 3.8 31.2 0.1 O54 A:XCU301 3.8 32.9 0.1 O75 A:XCU301 3.8 25.1 0.2 O61 A:XCU301 3.8 18.1 0.2 O66 A:XCU301 3.9 11.4 0.2 O49 A:XCU301 3.9 23.8 0.2 O67 A:XCU301 3.9 23.7 0.2 O53 A:XCU301 3.9 21.8 0.2 O59 A:XCU301 4.0 24.4 0.2 O61 A:XCU301 4.1 20.6 0.2 CU1 A:XCU301 4.2 25.1 0.2 O63 A:XCU301 4.2 17.2 0.4 W18 A:XCU301 4.3 29.0 0.1 O50 A:XCU301 4.3 20.6 0.4 W17 A:XCU301 4.4 33.5 0.1 O43 A:XCU301 4.4 28.6 0.2 O77 A:XCU301 4.4 23.2 0.2 CU1 A:XCU301 4.6 37.5 0.1 CU1 A:XCU301 4.6 30.6 0.1 W15 A:XCU301 4.6 17.9 0.4 O47 A:XCU301 4.6 14.2 0.4 O52 A:XCU301 4.6 20.4 0.2 O40 A:XCU301 4.7 27.1 0.2 O50 A:XCU301 4.7 15.8 0.2 O53 A:XCU301 4.7 23.7 0.2 O57 A:XCU301 4.8 20.6 0.2 O65 A:XCU301 4.9 19.6 0.2 O55 A:XCU301 4.9 34.0 0.1 O64 A:XCU301 4.9 18.8 0.2 O53 A:XCU301 5.0 33.9 0.1

Tungsten binding site 9 out of 55 in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:25.4 occ:0.17 W13 A:XCU301 0.0 25.4 0.2 O45 A:XCU301 1.3 18.5 0.4 O51 A:XCU301 1.6 20.2 0.4 O76 A:XCU301 1.7 28.8 0.2 O42 A:XCU301 1.7 27.8 0.2 W16 A:XCU301 1.8 16.1 0.4 O41 A:XCU301 1.9 26.9 0.2 O45 A:XCU301 2.0 28.9 0.2 O44 A:XCU301 2.0 24.7 0.2 O44 A:XCU301 2.3 19.0 0.4 O60 A:XCU301 2.4 26.2 0.2 O52 A:XCU301 2.5 16.1 0.4 O40 A:XCU301 2.6 27.1 0.2 W15 A:XCU301 2.7 17.9 0.4 W13 A:XCU301 2.7 16.8 0.4 O60 A:XCU301 2.8 17.9 0.4 O53 A:XCU301 3.4 16.1 0.4 O65 A:XCU301 3.5 17.9 0.4 O42 A:XCU301 3.5 19.5 0.4 W15 A:XCU301 3.5 27.1 0.2 P2 A:XCU301 3.5 20.2 0.2 W16 A:XCU301 3.6 28.5 0.2 O76 A:XCU301 3.6 16.9 0.4 O50 A:XCU301 3.6 20.6 0.4 W12 A:XCU301 3.6 23.3 0.2 O51 A:XCU301 3.7 27.9 0.2 CU1 A:XCU301 3.7 25.1 0.2 O75 A:XCU301 3.7 24.6 0.2 O A:HOH468 3.8 24.8 1.0 O49 A:XCU301 3.8 25.0 0.2 O53 A:XCU301 3.9 23.7 0.2 O59 A:XCU301 3.9 22.4 0.2 O61 A:XCU301 4.0 18.1 0.2 O64 A:XCU301 4.0 17.7 0.4 W12 A:XCU301 4.1 25.6 0.2 O46 A:XCU301 4.2 25.5 0.2 O41 A:XCU301 4.3 21.9 0.4 P2 A:XCU301 4.3 14.4 0.4 O77 A:XCU301 4.3 21.8 0.2 O43 A:XCU301 4.3 26.0 0.2 O49 A:XCU301 4.3 15.0 0.4 O42 A:XCU301 4.5 28.7 0.1 O75 A:XCU301 4.5 25.1 0.2 CU1 A:XCU301 4.6 30.6 0.1 O40 A:XCU301 4.6 13.3 0.2 O76 A:XCU301 4.7 31.1 0.1 O50 A:XCU301 4.7 24.9 0.2 O52 A:XCU301 4.7 28.5 0.2 O40 A:XCU301 4.8 28.7 0.1 OG A:SER63 4.9 15.8 0.5 O62 A:XCU301 4.9 20.2 0.2 O65 A:XCU301 4.9 20.3 0.2 W17 A:XCU301 4.9 18.1 0.2 O61 A:XCU301 4.9 18.0 0.4 O75 A:XCU301 4.9 27.9 0.1 O64 A:XCU301 4.9 26.3 0.2 W14 A:XCU301 5.0 25.1 0.2 O62 A:XCU301 5.0 15.7 0.4

Tungsten binding site 10 out of 55 in the Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Cu-Substituted Alpha-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:27.4 occ:0.15 W13 A:XCU301 0.0 27.4 0.1 O40 A:XCU301 1.3 28.3 0.1 O76 A:XCU301 1.7 31.1 0.1 O42 A:XCU301 1.7 28.7 0.1 W12 A:XCU301 1.9 27.2 0.1 O41 A:XCU301 1.9 25.3 0.1 O45 A:XCU301 1.9 30.5 0.1 O44 A:XCU301 2.0 32.9 0.1 O75 A:XCU301 2.0 34.2 0.1 O46 A:XCU301 2.3 30.5 0.1 O60 A:XCU301 2.5 32.0 0.1 O41 A:XCU301 3.4 31.3 0.1 W15 A:XCU301 3.5 33.4 0.1 W16 A:XCU301 3.5 29.2 0.1 O43 A:XCU301 3.5 32.3 0.1 W12 A:XCU301 3.6 25.5 0.1 P2 A:XCU301 3.6 32.5 0.1 O51 A:XCU301 3.7 33.1 0.1 CU1 A:XCU301 3.7 30.6 0.1 O75 A:XCU301 3.7 27.9 0.1 CU1 A:XCU301 3.9 37.5 0.1 O49 A:XCU301 3.9 35.3 0.1 O53 A:XCU301 3.9 34.7 0.1 O59 A:XCU301 4.0 32.2 0.1 O59 A:XCU301 4.0 32.7 0.1 O61 A:XCU301 4.1 32.4 0.1 O50 A:XCU301 4.2 20.6 0.4 W19 A:XCU301 4.2 30.1 0.1 O43 A:XCU301 4.2 31.3 0.1 O57 A:XCU301 4.3 34.0 0.1 O77 A:XCU301 4.4 31.9 0.1 O42 A:XCU301 4.4 27.8 0.2 O78 A:XCU301 4.4 36.0 0.1 CU1 A:XCU301 4.5 25.1 0.2 O76 A:XCU301 4.5 34.7 0.1 O40 A:XCU301 4.6 28.7 0.1 O76 A:XCU301 4.6 28.8 0.2 O51 A:XCU301 4.6 20.2 0.4 O52 A:XCU301 4.7 28.2 0.1 O50 A:XCU301 4.7 31.0 0.1 O47 A:XCU301 4.8 34.0 0.1 O65 A:XCU301 4.9 34.1 0.1 O64 A:XCU301 4.9 37.9 0.1 W14 A:XCU301 4.9 33.1 0.1 O58 A:XCU301 4.9 31.7 0.1 W14 A:XCU301 5.0 34.1 0.1 W13 A:XCU301 5.0 27.0 0.1 O62 A:XCU301 5.0 35.7 0.1 O40 A:XCU301 5.0 13.3 0.2

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