Tungsten in PDB 6rvg: Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr

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

The structure of Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr, PDB code: 6rvg 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)	32.17 / 1.10
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	67.820, 67.820, 101.660, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 20

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

Silicon	(Si)	4 atoms
Cobalt	(Co)	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 - 44;

Binding sites:

The binding sites of Tungsten atom in the Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr (pdb code 6rvg). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 44 binding sites of Tungsten where determined in the Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr, PDB code: 6rvg:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 44 in the Co-Substituted Beta-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 Co-Substituted Beta-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:0.36 W1 A:XCO301 0.0 27.2 0.4 O1 A:XCO301 1.7 58.3 0.4 O13 A:XCO301 1.9 41.1 0.4 O16 A:XCO301 2.0 37.7 0.4 O15 A:XCO301 2.0 48.6 0.4 O14 A:XCO301 2.1 44.4 0.4 O37 A:XCO301 2.4 39.8 0.4 W3 A:XCO301 3.3 26.8 0.4 W2 A:XCO301 3.4 24.7 0.4 O23 A:XCO301 3.4 45.9 0.4 O38 A:XCO301 3.5 39.9 0.4 SI1 A:XCO301 3.5 35.1 0.4 O17 A:XCO301 3.6 47.3 0.4 W4 A:XCO301 3.6 26.9 0.4 W9 A:XCO301 3.7 30.7 0.4 O21 A:XCO301 3.8 28.6 0.4 O18 A:XCO301 3.9 31.4 0.4 O22 A:XCO301 4.4 23.5 0.4 O2 A:XCO301 4.5 28.2 0.4 O27 A:XCO301 4.5 34.6 0.4 O3 A:XCO301 4.6 38.2 0.4 O4 A:XCO301 4.6 15.7 0.4 O39 A:XCO301 4.7 34.4 0.4 O40 A:XCO301 4.7 33.2 0.4 O9 A:XCO301 4.7 41.6 0.4 O19 A:XCO301 5.0 32.9 0.4 O20 A:XCO301 5.0 35.8 0.4

Tungsten binding site 2 out of 44 in the Co-Substituted Beta-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 Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:26.9 occ:0.36 W10 A:XCO301 0.0 26.9 0.4 O10 A:XCO301 1.7 21.8 0.4 O34 A:XCO301 2.0 24.3 0.4 O33 A:XCO301 2.0 41.8 0.4 O28 A:XCO301 2.0 29.7 0.4 O35 A:XCO301 2.1 29.5 0.4 O38 A:XCO301 2.4 39.9 0.4 W9 A:XCO301 3.4 30.7 0.4 W4 A:XCO301 3.4 26.9 0.4 SI1 A:XCO301 3.6 35.1 0.4 O36 A:XCO301 3.6 26.4 0.4 O23 A:XCO301 3.6 45.9 0.4 CO1 A:XCO301 3.6 25.9 0.4 O27 A:XCO301 3.7 34.6 0.4 W12 A:XCO301 3.7 27.1 0.4 O22 A:XCO301 3.9 23.5 0.4 O A:HOH403 3.9 18.8 1.0 O40 A:XCO301 4.0 33.2 0.4 O39 A:XCO301 4.1 34.4 0.4 O29 A:XCO301 4.2 23.1 0.4 O A:HOH408 4.2 29.6 1.0 O32 A:XCO301 4.3 30.4 0.4 O12 A:XCO301 4.5 20.2 0.4 O9 A:XCO301 4.8 41.6 0.4 O4 A:XCO301 4.8 15.7 0.4 O15 A:XCO301 4.8 48.6 0.4 O14 A:XCO301 4.9 44.4 0.4 HA2 A:GLY214 4.9 12.2 1.0 W8 A:XCO301 4.9 34.0 0.4 O37 A:XCO301 5.0 39.8 0.4

Tungsten binding site 3 out of 44 in the Co-Substituted Beta-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 Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:27.1 occ:0.36 W12 A:XCO301 0.0 27.1 0.4 O12 A:XCO301 1.6 20.2 0.4 O36 A:XCO301 1.9 26.4 0.4 O32 A:XCO301 1.9 30.4 0.4 O35 A:XCO301 2.0 29.5 0.4 O31 A:XCO301 2.0 30.5 0.4 O40 A:XCO301 2.3 33.2 0.4 O A:HOH411 3.0 26.9 1.0 O A:HOH408 3.2 29.6 1.0 W8 A:XCO301 3.4 34.0 0.4 W7 A:XCO301 3.4 27.7 0.4 SI1 A:XCO301 3.6 35.1 0.4 O34 A:XCO301 3.6 24.3 0.4 CO1 A:XCO301 3.6 25.9 0.4 O26 A:XCO301 3.6 34.4 0.4 W10 A:XCO301 3.7 26.9 0.4 HD12 A:ILE213 3.7 12.6 1.0 O27 A:XCO301 3.8 34.6 0.4 O25 A:XCO301 3.8 34.3 0.4 O38 A:XCO301 4.0 39.9 0.4 O39 A:XCO301 4.1 34.4 0.4 HB A:ILE213 4.3 10.3 1.0 O30 A:XCO301 4.3 27.9 0.4 O33 A:XCO301 4.4 41.8 0.4 O10 A:XCO301 4.5 21.8 0.4 H A:GLY214 4.6 10.4 1.0 O7 A:XCO301 4.6 32.9 0.4 CD1 A:ILE213 4.7 10.5 1.0 O6 A:XCO303 4.7 14.2 0.2 O8 A:XCO301 4.8 20.0 0.4 HD2 A:ARG64 4.8 41.3 1.0 O20 A:XCO301 4.8 35.8 0.4 HA2 A:GLY214 4.8 12.2 1.0 O21 A:XCO301 4.9 28.6 0.4 N A:GLY214 5.0 8.7 1.0 O37 A:XCO301 5.0 39.8 0.4

Tungsten binding site 4 out of 44 in the Co-Substituted Beta-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 Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:24.7 occ:0.36 W2 A:XCO301 0.0 24.7 0.4 O2 A:XCO301 1.7 28.2 0.4 O17 A:XCO301 1.9 47.3 0.4 O16 A:XCO301 1.9 37.7 0.4 O18 A:XCO301 2.0 31.4 0.4 O19 A:XCO301 2.0 32.9 0.4 O37 A:XCO301 2.3 39.8 0.4 W1 A:XCO301 3.4 27.2 0.4 O39 A:XCO301 3.4 34.4 0.4 W3 A:XCO301 3.4 26.8 0.4 SI1 A:XCO301 3.5 35.1 0.4 O13 A:XCO301 3.6 41.1 0.4 O24 A:XCO301 3.6 21.0 0.4 W6 A:XCO301 3.7 24.6 0.4 W5 A:XCO301 3.7 24.6 0.4 O14 A:XCO301 3.9 44.4 0.4 O20 A:XCO301 3.9 35.8 0.4 O25 A:XCO301 4.3 34.3 0.4 O22 A:XCO301 4.3 23.5 0.4 O5 A:XCO301 4.5 13.2 0.4 O3 A:XCO301 4.6 38.2 0.4 O1 A:XCO301 4.6 58.3 0.4 O40 A:XCO301 4.7 33.2 0.4 O6 A:XCO301 4.7 31.4 0.4 O38 A:XCO301 4.8 39.9 0.4 O A:HOH659 4.9 18.1 1.0 O15 A:XCO301 4.9 48.6 0.4 O21 A:XCO301 5.0 28.6 0.4

Tungsten binding site 5 out of 44 in the Co-Substituted Beta-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 Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:26.8 occ:0.36 W3 A:XCO301 0.0 26.8 0.4 O3 A:XCO301 1.6 38.2 0.4 O13 A:XCO301 1.9 41.1 0.4 O17 A:XCO301 2.0 47.3 0.4 O21 A:XCO301 2.0 28.6 0.4 O20 A:XCO301 2.1 35.8 0.4 O37 A:XCO301 2.4 39.8 0.4 O26 A:XCO301 3.3 34.4 0.4 W1 A:XCO301 3.3 27.2 0.4 W2 A:XCO301 3.4 24.7 0.4 O40 A:XCO301 3.5 33.2 0.4 SI1 A:XCO301 3.5 35.1 0.4 O16 A:XCO301 3.6 37.7 0.4 W8 A:XCO301 3.6 34.0 0.4 W7 A:XCO301 3.7 27.7 0.4 O15 A:XCO301 3.9 48.6 0.4 O19 A:XCO301 3.9 32.9 0.4 O A:HOH402 4.3 35.8 1.0 HD3 A:ARG64 4.3 41.3 1.0 O25 A:XCO301 4.3 34.3 0.4 O7 A:XCO303 4.4 10.5 0.2 O8 A:XCO301 4.5 20.0 0.4 HE A:ARG64 4.5 46.1 1.0 NE A:ARG64 4.5 38.4 1.0 O2 A:XCO301 4.5 28.2 0.4 O27 A:XCO301 4.6 34.6 0.4 O7 A:XCO301 4.6 32.9 0.4 O39 A:XCO301 4.6 34.4 0.4 HD2 A:ARG64 4.6 41.3 1.0 O38 A:XCO301 4.7 39.9 0.4 O A:HOH404 4.7 29.2 1.0 CD A:ARG64 4.7 34.4 1.0 O1 A:XCO301 4.7 58.3 0.4 CZ A:ARG64 4.8 31.4 1.0 O18 A:XCO301 4.9 31.4 0.4 O14 A:XCO301 5.0 44.4 0.4

Tungsten binding site 6 out of 44 in the Co-Substituted Beta-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 Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:26.9 occ:0.36 W4 A:XCO301 0.0 26.9 0.4 O4 A:XCO301 1.8 15.7 0.4 O14 A:XCO301 1.9 44.4 0.4 O23 A:XCO301 1.9 45.9 0.4 O22 A:XCO301 1.9 23.5 0.4 O28 A:XCO301 1.9 29.7 0.4 O38 A:XCO301 2.3 39.9 0.4 W9 A:XCO301 3.3 30.7 0.4 W10 A:XCO301 3.4 26.9 0.4 SI1 A:XCO301 3.5 35.1 0.4 O A:HOH401 3.5 31.8 1.0 O15 A:XCO301 3.6 48.6 0.4 O33 A:XCO301 3.6 41.8 0.4 W1 A:XCO301 3.6 27.2 0.4 W5 A:XCO301 3.8 24.6 0.4 O37 A:XCO301 3.9 39.8 0.4 O34 A:XCO301 3.9 24.3 0.4 O18 A:XCO301 4.0 31.4 0.4 O39 A:XCO301 4.0 34.4 0.4 O29 A:XCO301 4.2 23.1 0.4 O1 A:XCO301 4.4 58.3 0.4 O16 A:XCO301 4.5 37.7 0.4 O5 A:XCO301 4.6 13.2 0.4 O9 A:XCO301 4.7 41.6 0.4 O10 A:XCO301 4.7 21.8 0.4 O27 A:XCO301 4.8 34.6 0.4 CO1 A:XCO301 5.0 25.9 0.4 O40 A:XCO301 5.0 33.2 0.4

Tungsten binding site 7 out of 44 in the Co-Substituted Beta-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 Co-Substituted Beta-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:0.36 W5 A:XCO301 0.0 24.6 0.4 O5 A:XCO301 1.7 13.2 0.4 O18 A:XCO301 1.9 31.4 0.4 O22 A:XCO301 1.9 23.5 0.4 O29 A:XCO301 1.9 23.1 0.4 O24 A:XCO301 1.9 21.0 0.4 O39 A:XCO301 2.3 34.4 0.4 W6 A:XCO301 3.3 24.6 0.4 CO1 A:XCO301 3.3 25.9 0.4 SI1 A:XCO301 3.5 35.1 0.4 O30 A:XCO301 3.6 27.9 0.4 O19 A:XCO301 3.6 32.9 0.4 W2 A:XCO301 3.7 24.7 0.4 W4 A:XCO301 3.8 26.9 0.4 O34 A:XCO301 3.9 24.3 0.4 O37 A:XCO301 3.9 39.8 0.4 O14 A:XCO301 4.1 44.4 0.4 O38 A:XCO301 4.2 39.9 0.4 O28 A:XCO301 4.3 29.7 0.4 O4 A:XCO301 4.5 15.7 0.4 O16 A:XCO301 4.6 37.7 0.4 O6 A:XCO301 4.6 31.4 0.4 O2 A:XCO301 4.7 28.2 0.4 O25 A:XCO301 4.7 34.3 0.4 O36 A:XCO301 4.8 26.4 0.4

Tungsten binding site 8 out of 44 in the Co-Substituted Beta-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 Co-Substituted Beta-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:0.36 W6 A:XCO301 0.0 24.6 0.4 O6 A:XCO301 1.7 31.4 0.4 O25 A:XCO301 1.9 34.3 0.4 O19 A:XCO301 1.9 32.9 0.4 O30 A:XCO301 1.9 27.9 0.4 O24 A:XCO301 2.0 21.0 0.4 O39 A:XCO301 2.2 34.4 0.4 W5 A:XCO301 3.3 24.6 0.4 CO1 A:XCO301 3.3 25.9 0.4 O18 A:XCO301 3.5 31.4 0.4 SI1 A:XCO301 3.5 35.1 0.4 W2 A:XCO301 3.7 24.7 0.4 W7 A:XCO301 3.7 27.7 0.4 O29 A:XCO301 3.7 23.1 0.4 O36 A:XCO301 3.8 26.4 0.4 O37 A:XCO301 3.8 39.8 0.4 O40 A:XCO301 4.0 33.2 0.4 O20 A:XCO301 4.0 35.8 0.4 O A:HOH419 4.1 32.8 1.0 O31 A:XCO301 4.3 30.5 0.4 O7 A:XCO301 4.4 32.9 0.4 O17 A:XCO301 4.5 47.3 0.4 O5 A:XCO301 4.6 13.2 0.4 O2 A:XCO301 4.6 28.2 0.4 O22 A:XCO301 4.7 23.5 0.4 O34 A:XCO301 4.8 24.3 0.4

Tungsten binding site 9 out of 44 in the Co-Substituted Beta-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 Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:27.7 occ:0.36 W7 A:XCO301 0.0 27.7 0.4 O7 A:XCO301 1.6 32.9 0.4 O20 A:XCO301 1.9 35.8 0.4 O25 A:XCO301 1.9 34.3 0.4 O31 A:XCO301 1.9 30.5 0.4 O26 A:XCO301 2.0 34.4 0.4 O40 A:XCO301 2.3 33.2 0.4 HD2 A:ARG64 2.9 41.3 1.0 HH11 A:ARG64 3.2 50.0 1.0 W12 A:XCO301 3.4 27.1 0.4 W8 A:XCO301 3.4 34.0 0.4 O A:HOH419 3.4 32.8 1.0 SI1 A:XCO301 3.5 35.1 0.4 O A:HOH411 3.6 26.9 1.0 NH1 A:ARG64 3.6 41.7 1.0 CD A:ARG64 3.6 34.4 1.0 O32 A:XCO301 3.6 30.4 0.4 W3 A:XCO301 3.7 26.8 0.4 O21 A:XCO301 3.7 28.6 0.4 W6 A:XCO301 3.7 24.6 0.4 HD3 A:ARG64 3.8 41.3 1.0 HA2 A:GLY66 3.8 14.4 1.0 O36 A:XCO301 3.9 26.4 0.4 O37 A:XCO301 3.9 39.8 0.4 O39 A:XCO301 3.9 34.4 0.4 O19 A:XCO301 3.9 32.9 0.4 HH12 A:ARG64 4.0 50.0 1.0 CZ A:ARG64 4.1 31.4 1.0 NE A:ARG64 4.1 38.4 1.0 O30 A:XCO301 4.3 27.9 0.4 HA3 A:GLY66 4.4 14.4 1.0 O3 A:XCO301 4.5 38.2 0.4 O17 A:XCO301 4.5 47.3 0.4 O6 A:XCO301 4.5 31.4 0.4 O12 A:XCO301 4.5 20.2 0.4 CA A:GLY66 4.6 12.0 1.0 O A:HOH402 4.6 35.8 1.0 O8 A:XCO301 4.6 20.0 0.4 HG2 A:ARG64 4.7 26.4 1.0 CG A:ARG64 4.7 22.0 1.0 HE A:ARG64 4.8 46.1 1.0 O27 A:XCO301 4.9 34.6 0.4 HG3 A:ARG64 4.9 26.4 1.0 CO1 A:XCO301 4.9 25.9 0.4 O35 A:XCO301 5.0 29.5 0.4

Tungsten binding site 10 out of 44 in the Co-Substituted Beta-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 Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:34.0 occ:0.36 W8 A:XCO301 0.0 34.0 0.4 O8 A:XCO301 1.8 20.0 0.4 O21 A:XCO301 1.9 28.6 0.4 O26 A:XCO301 1.9 34.4 0.4 O27 A:XCO301 1.9 34.6 0.4 O32 A:XCO301 1.9 30.4 0.4 O40 A:XCO301 2.3 33.2 0.4 HD3 A:ARG64 2.9 41.3 1.0 O6 A:XCO303 3.0 14.2 0.2 W12 A:XCO301 3.4 27.1 0.4 W7 A:XCO301 3.4 27.7 0.4 SI1 A:XCO301 3.5 35.1 0.4 HD2 A:ARG64 3.6 41.3 1.0 O7 A:XCO302 3.6 13.4 0.2 O20 A:XCO301 3.6 35.8 0.4 W3 A:XCO301 3.6 26.8 0.4 CD A:ARG64 3.6 34.4 1.0 W9 A:XCO301 3.7 30.7 0.4 O31 A:XCO301 3.7 30.5 0.4 O38 A:XCO301 3.8 39.9 0.4 O35 A:XCO301 3.9 29.5 0.4 O A:HOH411 3.9 26.9 1.0 O15 A:XCO301 3.9 48.6 0.4 O37 A:XCO301 4.0 39.8 0.4 W6 A:XCO303 4.2 9.4 0.2 O25 A:XCO303 4.2 10.1 0.2 O19 A:XCO303 4.2 10.3 0.2 HG3 A:ARG64 4.2 26.4 1.0 O33 A:XCO301 4.3 41.8 0.4 O7 A:XCO303 4.4 10.5 0.2 O3 A:XCO301 4.5 38.2 0.4 O13 A:XCO301 4.5 41.1 0.4 CG A:ARG64 4.5 22.0 1.0 NE A:ARG64 4.6 38.4 1.0 O9 A:XCO301 4.6 41.6 0.4 O12 A:XCO301 4.6 20.2 0.4 O7 A:XCO301 4.7 32.9 0.4 O25 A:XCO301 4.7 34.3 0.4 HE A:ARG64 4.8 46.1 1.0 O36 A:XCO301 4.8 26.4 0.4 W10 A:XCO301 4.9 26.9 0.4 O25 A:XCO302 5.0 11.9 0.2 W7 A:XCO302 5.0 11.0 0.2 O39 A:XCO301 5.0 34.4 0.4

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