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Cobalt 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:

Tungsten (W) 22 atoms

Cobalt Binding Sites:

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 6run

Go back to Cobalt Binding Sites List in 6run
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 6run

Go back to Cobalt Binding Sites List in 6run
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

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: Sun Dec 13 10:51:37 2020

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