Silicon in PDB 6rve: 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: 6rve 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)	35.83 / 1.15
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.420, 68.420, 106.670, 90.00, 90.00, 90.00
R / Rfree (%)	18.9 / 21.8

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

Tungsten	(W)	33 atoms
Cobalt	(Co)	3 atoms

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

Silicon binding site 1 out of 3 in the Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Silicon with other atoms in the Si 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:Si301 b:22.8 occ:0.54 SI1 A:XCO301 0.0 22.8 0.5 SI1 A:XCO301 0.8 21.9 0.3 O38 A:XCO301 1.1 21.4 0.3 O37 A:XCO301 1.7 24.6 0.5 O39 A:XCO301 1.7 21.8 0.5 O40 A:XCO301 1.8 24.4 0.5 O38 A:XCO301 1.8 24.1 0.5 O40 A:XCO301 1.9 23.9 0.3 O37 A:XCO301 2.2 22.5 0.3 O39 A:XCO301 2.2 20.5 0.3 W10 A:XCO301 2.8 20.6 0.3 W9 A:XCO301 2.8 22.2 0.3 O22 A:XCO301 2.9 20.4 0.3 O27 A:XCO301 2.9 23.9 0.3 O25 A:XCO301 2.9 22.8 0.5 W4 A:XCO301 3.0 21.8 0.3 O35 A:XCO301 3.1 22.1 0.3 O33 A:XCO301 3.1 21.2 0.3 O34 A:XCO301 3.2 20.1 0.3 O22 A:XCO301 3.2 24.7 0.5 O15 A:XCO301 3.2 22.2 0.3 O19 A:XCO301 3.3 21.5 0.5 O18 A:XCO301 3.3 23.9 0.5 O14 A:XCO301 3.3 21.6 0.3 O36 A:XCO301 3.4 21.3 0.5 W12 A:XCO301 3.4 23.7 0.3 CO1 A:XCO301 3.4 21.2 0.5 O28 A:XCO301 3.4 21.9 0.3 W8 A:XCO301 3.4 25.0 0.3 O23 A:XCO301 3.5 21.6 0.3 O36 A:XCO301 3.5 21.8 0.3 W2 A:XCO301 3.5 24.2 0.5 O14 A:XCO301 3.5 25.8 0.5 O21 A:XCO301 3.5 25.1 0.5 O27 A:XCO301 3.5 25.7 0.5 W12 A:XCO301 3.5 23.5 0.5 W4 A:XCO301 3.5 26.0 0.5 W6 A:XCO301 3.5 22.8 0.5 W5 A:XCO301 3.5 23.7 0.5 O32 A:XCO301 3.5 23.7 0.3 CO1 A:XCO301 3.5 20.4 0.3 W7 A:XCO301 3.5 26.0 0.5 O20 A:XCO301 3.5 25.4 0.5 W10 A:XCO301 3.6 22.7 0.5 O34 A:XCO301 3.6 22.2 0.5 W1 A:XCO301 3.6 26.3 0.5 O21 A:XCO301 3.6 24.1 0.3 O15 A:XCO301 3.6 24.7 0.5 W8 A:XCO301 3.6 25.0 0.5 O35 A:XCO301 3.6 23.3 0.5 W9 A:XCO301 3.6 24.7 0.5 W3 A:XCO301 3.6 26.4 0.5 W1 A:XCO301 3.7 21.7 0.3 W5 A:XCO301 3.8 18.1 0.3 O32 A:XCO301 3.8 23.0 0.5 O25 A:XCO301 3.9 22.1 0.3 W3 A:XCO301 4.0 23.6 0.3 O30 A:XCO301 4.0 21.6 0.5 O31 A:XCO301 4.0 24.8 0.5 O18 A:XCO301 4.0 19.5 0.3 O33 A:XCO301 4.0 23.2 0.5 W7 A:XCO301 4.0 24.2 0.3 O28 A:XCO301 4.0 23.1 0.5 O29 A:XCO301 4.1 21.5 0.5 O16 A:XCO301 4.1 24.4 0.5 O24 A:XCO301 4.1 22.8 0.5 O17 A:XCO301 4.1 25.1 0.5 O23 A:XCO301 4.1 24.8 0.5 O13 A:XCO301 4.1 26.4 0.5 O20 A:XCO301 4.2 23.4 0.3 O29 A:XCO301 4.2 19.0 0.3 O17 A:XCO301 4.2 22.9 0.3 W2 A:XCO301 4.2 21.5 0.3 O26 A:XCO301 4.2 25.1 0.5 O19 A:XCO301 4.2 20.9 0.3 W6 A:XCO301 4.3 20.7 0.3 O31 A:XCO301 4.3 23.8 0.3 O13 A:XCO301 4.3 22.7 0.3 O26 A:XCO301 4.4 24.7 0.3 O30 A:XCO301 4.4 20.1 0.3 O16 A:XCO301 4.5 21.0 0.3 O10 A:XCO301 4.5 20.7 0.3 O4 A:XCO301 4.6 19.0 0.3 O9 A:XCO301 4.7 22.4 0.3 O24 A:XCO301 4.8 19.0 0.3 O12 A:XCO301 4.9 24.1 0.3 O4 A:XCO301 5.0 26.1 0.5

Silicon binding site 2 out of 3 in the Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Silicon with other atoms in the Si 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:Si301 b:21.9 occ:0.29 SI1 A:XCO301 0.0 21.9 0.3 SI1 A:XCO301 0.8 22.8 0.5 O37 A:XCO301 1.5 24.6 0.5 O39 A:XCO301 1.6 21.8 0.5 O37 A:XCO301 1.6 22.5 0.3 O40 A:XCO301 1.7 24.4 0.5 O39 A:XCO301 1.7 20.5 0.3 O40 A:XCO301 1.7 23.9 0.3 O38 A:XCO301 1.8 21.4 0.3 O25 A:XCO301 2.3 22.8 0.5 O19 A:XCO301 2.6 21.5 0.5 O38 A:XCO301 2.7 24.1 0.5 O20 A:XCO301 2.8 25.4 0.5 W6 A:XCO301 2.9 22.8 0.5 W7 A:XCO301 2.9 26.0 0.5 O22 A:XCO301 3.0 20.4 0.3 W2 A:XCO301 3.1 24.2 0.5 W3 A:XCO301 3.2 26.4 0.5 O18 A:XCO301 3.3 23.9 0.5 O25 A:XCO301 3.3 22.1 0.3 O21 A:XCO301 3.4 25.1 0.5 O19 A:XCO301 3.4 20.9 0.3 O17 A:XCO301 3.4 22.9 0.3 O27 A:XCO301 3.4 23.9 0.3 O14 A:XCO301 3.4 21.6 0.3 W4 A:XCO301 3.4 21.8 0.3 O36 A:XCO301 3.4 21.3 0.5 O36 A:XCO301 3.5 21.8 0.3 W3 A:XCO301 3.5 23.6 0.3 W5 A:XCO301 3.5 18.1 0.3 O18 A:XCO301 3.5 19.5 0.3 CO1 A:XCO301 3.5 20.4 0.3 W2 A:XCO301 3.5 21.5 0.3 O21 A:XCO301 3.5 24.1 0.3 O20 A:XCO301 3.5 23.4 0.3 W7 A:XCO301 3.5 24.2 0.3 W9 A:XCO301 3.5 22.2 0.3 O15 A:XCO301 3.5 22.2 0.3 W12 A:XCO301 3.5 23.7 0.3 W10 A:XCO301 3.5 20.6 0.3 CO1 A:XCO301 3.5 21.2 0.5 O34 A:XCO301 3.5 20.1 0.3 W8 A:XCO301 3.6 25.0 0.3 W6 A:XCO301 3.6 20.7 0.3 W1 A:XCO301 3.6 21.7 0.3 W12 A:XCO301 3.6 23.5 0.5 O17 A:XCO301 3.6 25.1 0.5 W5 A:XCO301 3.6 23.7 0.5 W8 A:XCO301 3.7 25.0 0.5 O35 A:XCO301 3.7 22.1 0.3 O31 A:XCO301 3.7 24.8 0.5 O30 A:XCO301 3.7 21.6 0.5 O22 A:XCO301 3.7 24.7 0.5 O24 A:XCO301 3.8 22.8 0.5 O32 A:XCO301 3.8 23.7 0.3 W1 A:XCO301 3.8 26.3 0.5 O26 A:XCO301 3.9 25.1 0.5 O33 A:XCO301 3.9 21.2 0.3 O27 A:XCO301 4.0 25.7 0.5 O14 A:XCO301 4.0 25.8 0.5 O32 A:XCO301 4.0 23.0 0.5 O30 A:XCO301 4.0 20.1 0.3 O16 A:XCO301 4.0 24.4 0.5 O31 A:XCO301 4.0 23.8 0.3 O29 A:XCO301 4.0 19.0 0.3 O28 A:XCO301 4.0 21.9 0.3 O13 A:XCO301 4.1 22.7 0.3 O13 A:XCO301 4.1 26.4 0.5 O23 A:XCO301 4.1 21.6 0.3 O34 A:XCO301 4.1 22.2 0.5 O15 A:XCO301 4.1 24.7 0.5 O16 A:XCO301 4.1 21.0 0.3 O35 A:XCO301 4.1 23.3 0.5 O26 A:XCO301 4.1 24.7 0.3 O24 A:XCO301 4.2 19.0 0.3 W4 A:XCO301 4.2 26.0 0.5 O29 A:XCO301 4.3 21.5 0.5 W10 A:XCO301 4.3 22.7 0.5 W9 A:XCO301 4.3 24.7 0.5 O7 A:XCO301 4.4 26.7 0.5 O6 A:XCO301 4.5 23.3 0.5 O3 A:XCO301 4.7 26.4 0.5 O2 A:XCO301 4.7 23.9 0.5 O2 A:XCO301 4.7 22.4 0.3 O33 A:XCO301 4.8 23.2 0.5 O4 A:XCO301 4.8 19.0 0.3 O28 A:XCO301 4.8 23.1 0.5 O23 A:XCO301 4.9 24.8 0.5

Silicon binding site 3 out of 3 in the Co-Substituted Beta-Keggin Bound to Proteinase K Solved By Mr


Mono view


Stereo pair view

A full contact list of Silicon with other atoms in the Si 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:Si302 b:23.4 occ:0.19 SI1 A:KCO302 0.0 23.4 0.2 O37 A:KCO302 1.6 22.9 0.2 O39 A:KCO302 1.7 24.9 0.2 O40 A:KCO302 1.7 23.0 0.2 O38 A:KCO302 1.8 23.6 0.2 O25 A:KCO302 3.2 23.5 0.2 O22 A:KCO302 3.2 24.6 0.2 O18 A:KCO302 3.4 24.7 0.2 W7 A:KCO302 3.4 22.1 0.2 W2 A:KCO302 3.5 24.2 0.2 O27 A:KCO302 3.5 23.1 0.2 O14 A:KCO302 3.5 23.4 0.2 O34 A:KCO302 3.5 25.0 0.2 CO1 A:KCO302 3.5 25.4 0.2 W5 A:KCO302 3.5 25.1 0.2 W4 A:KCO302 3.5 23.8 0.2 O15 A:KCO302 3.5 22.9 0.2 O19 A:KCO302 3.5 24.6 0.2 W1 A:KCO302 3.5 22.8 0.2 W10 A:KCO302 3.5 23.9 0.2 W8 A:KCO302 3.5 22.6 0.2 W6 A:KCO302 3.5 24.9 0.2 W9 A:KCO302 3.6 23.1 0.2 O21 A:KCO302 3.6 21.5 0.2 W12 A:KCO302 3.6 23.5 0.2 W3 A:KCO302 3.6 20.7 0.2 O20 A:KCO302 3.6 21.2 0.2 O35 A:KCO302 3.8 23.8 0.2 O31 A:KCO302 3.9 22.6 0.2 O28 A:KCO302 4.0 24.0 0.2 O16 A:KCO302 4.0 23.5 0.2 O32 A:KCO302 4.0 22.9 0.2 O23 A:KCO302 4.0 23.5 0.2 O17 A:KCO302 4.0 22.4 0.2 O29 A:KCO302 4.1 25.6 0.2 O33 A:KCO302 4.1 23.6 0.2 O30 A:KCO302 4.1 25.2 0.2 O26 A:KCO302 4.1 22.4 0.2 O13 A:KCO302 4.1 21.6 0.2 O24 A:KCO302 4.2 25.0 0.2 OD2 A:ASP207 4.2 19.2 1.0 O7 A:KCO302 5.0 22.7 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