Cobalt in PDB 6run: 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;

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

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

Tungsten

(W)

22 atoms

The binding sites of Cobalt 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 Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep, PDB code: 6run:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Co-Substituted Alpha-Keggin Bound to Proteinase K Solved By Ep


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co 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:Co301 b:8.2 occ:0.75 CO1 A:WCO301 0.0 8.2 0.8 O77 A:WCO301 2.1 9.3 0.8 O76 A:WCO301 2.1 8.9 0.8 O75 A:WCO301 2.1 9.6 0.8 O78 A:WCO301 2.1 9.1 0.8 O61 A:WCO301 2.4 8.6 0.8 W18 A:WCO301 3.3 9.1 0.8 W17 A:WCO301 3.3 9.7 0.8 P2 A:WCO301 3.5 8.4 0.8 O55 A:WCO301 3.5 10.0 0.8 W13 A:WCO301 3.6 9.7 0.8 W12 A:WCO301 3.6 9.3 0.8 O41 A:WCO301 3.6 9.7 0.8 O57 A:WCO301 3.8 9.4 0.8 O53 A:WCO301 3.8 10.2 0.8 O60 A:WCO301 3.9 8.9 0.8 O59 A:WCO301 3.9 9.2 0.8 O45 A:WCO301 4.3 9.2 0.8 O46 A:WCO301 4.4 9.7 0.8 O40 A:WCO301 4.6 9.4 0.8 O56 A:WCO301 4.7 9.3 0.8 O54 A:WCO301 4.7 10.3 0.8 O42 A:WCO301 4.7 9.4 0.8 O66 A:WCO301 4.8 9.5 0.8 O67 A:WCO301 4.8 9.4 0.8 O62 A:WCO301 4.8 9.0 0.8 W16 A:WCO301 5.0 10.4 0.8

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co 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:Co302 b:18.2 occ:0.27 CO1 A:WCO302 0.0 18.2 0.3 OD2 A:ASP207 1.6 19.0 1.0 O77 A:WCO302 2.1 16.9 0.3 O76 A:WCO302 2.1 20.6 0.3 O75 A:WCO302 2.2 19.6 0.3 O78 A:WCO302 2.2 17.4 0.3 O61 A:WCO302 2.3 17.1 0.3 CG A:ASP207 2.8 15.0 1.0 W18 A:WCO302 3.2 16.7 0.3 O55 A:WCO302 3.3 17.3 0.3 W17 A:WCO302 3.3 16.5 0.3 P2 A:WCO302 3.3 18.7 0.3 OD1 A:ASP207 3.5 15.9 1.0 W13 A:WCO302 3.7 21.8 0.3 W12 A:WCO302 3.7 20.0 0.3 O41 A:WCO302 3.7 21.0 0.3 O57 A:WCO302 3.8 15.8 0.3 CB A:ASP207 3.8 11.5 1.0 O60 A:WCO302 3.8 20.4 0.3 O59 A:WCO302 3.8 18.7 0.3 O53 A:WCO302 3.9 18.0 0.3 O46 A:WCO302 4.3 17.7 0.3 CG2 A:THR206 4.4 10.1 1.0 O45 A:WCO302 4.5 20.9 0.3 O A:HOH541 4.5 10.3 1.0 O56 A:WCO302 4.6 17.4 0.3 O54 A:WCO302 4.7 16.8 0.3 O67 A:WCO302 4.7 18.4 0.3 O62 A:WCO302 4.7 18.9 0.3 NE A:ARG185 4.7 13.1 1.0 O42 A:WCO302 4.7 22.5 0.3 O40 A:WCO302 4.7 20.6 0.3 NH2 A:ARG185 4.8 13.9 1.0 O66 A:WCO302 4.8 17.6 0.3 W16 A:WCO302 4.9 19.5 0.3 W19 A:WCO302 5.0 15.9 0.3

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