Cobalt in PDB 7a9f: Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K

All present enzymatic activity of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K:
3.4.21.64;

The structure of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K, PDB code: 7a9f was solved by J.Breibeck, A.Rompel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.61 / 1.62
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.11, 68.11, 102.75, 90, 90, 90
R / Rfree (%)	14.3 / 17.4

The structure of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K also contains other interesting chemical elements:

Tungsten	(W)	22 atoms
Silicon	(Si)	2 atoms

The binding sites of Cobalt atom in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K (pdb code 7a9f). 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 Keggin Silicotungstate with Covalent Bond to Proteinase K, PDB code: 7a9f:
Jump to Cobalt binding site number: 1; 2;

Cobalt binding site 1 out of 2 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:Co301 b:11.2 occ:0.70 CO1 A:R5Q301 0.0 11.2 0.7 O76 A:R5Q301 2.0 7.3 0.7 O75 A:R5Q301 2.1 7.8 0.7 O77 A:R5Q301 2.1 9.2 0.7 O78 A:R5Q301 2.1 8.4 0.7 O A:HOH467 2.1 14.3 1.0 O61 A:R5Q301 2.3 8.2 0.7 W18 A:R5Q301 3.3 9.7 0.7 W17 A:R5Q301 3.3 10.7 0.7 HG3 A:MET55 3.4 10.5 1.0 SI2 A:R5Q301 3.4 9.0 0.7 W12 A:R5Q301 3.6 10.3 0.7 W13 A:R5Q301 3.6 11.0 0.7 O55 A:R5Q301 3.6 10.6 0.7 O41 A:R5Q301 3.6 8.5 0.7 HA A:ARG64 3.7 12.3 1.0 HG2 A:MET55 3.7 10.5 1.0 O57 A:R5Q301 3.8 9.3 0.7 O59 A:R5Q301 3.8 5.5 0.7 O60 A:R5Q301 3.8 6.0 0.7 O53 A:R5Q301 3.8 7.4 0.7 O A:HOH615 4.0 11.0 1.0 CG A:MET55 4.0 8.8 1.0 O A:ILE42 4.1 7.0 1.0 H A:ALA44 4.1 13.9 1.0 O A:SER63 4.2 9.2 1.0 O45 A:R5Q301 4.3 8.9 0.7 HB2 A:SER63 4.4 11.6 1.0 HB1 A:ALA44 4.4 10.0 1.0 O46 A:R5Q301 4.4 9.0 0.7 CA A:ARG64 4.5 10.3 1.0 C A:SER63 4.5 11.2 1.0 HB3 A:SER63 4.5 11.6 1.0 HA A:GLU43 4.6 11.8 1.0 HB2 A:MET55 4.6 11.2 1.0 O56 A:R5Q301 4.6 8.7 0.7 N A:ARG64 4.6 10.6 1.0 O40 A:R5Q301 4.7 4.5 0.7 O42 A:R5Q301 4.7 8.8 0.7 O54 A:R5Q301 4.7 11.5 0.7 HB2 A:ARG64 4.7 12.0 1.0 O67 A:R5Q301 4.8 9.8 0.7 O66 A:R5Q301 4.8 8.7 0.7 O62 A:R5Q301 4.8 7.5 0.7 CB A:SER63 4.9 9.7 1.0 CB A:MET55 4.9 9.3 1.0 N A:ALA44 4.9 11.6 1.0 W19 A:R5Q301 4.9 10.2 0.7 W16 A:R5Q301 5.0 11.6 0.7 H A:ASP65 5.0 10.1 1.0

Cobalt binding site 2 out of 2 in the Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:Co302 b:18.8 occ:0.30 CO1 A:R5Q302 0.0 18.8 0.3 OD2 A:ASP207 1.7 16.7 1.0 O76 A:R5Q302 2.1 15.0 0.3 O75 A:R5Q302 2.1 12.1 0.3 O77 A:R5Q302 2.1 15.8 0.3 O78 A:R5Q302 2.2 17.9 0.3 O61 A:R5Q302 2.6 22.6 0.3 CG A:ASP207 2.8 15.9 1.0 OD1 A:ASP207 3.4 13.5 1.0 W13 A:R5Q302 3.5 13.9 0.3 SI2 A:R5Q302 3.5 19.4 0.3 W17 A:R5Q302 3.5 18.9 0.3 W12 A:R5Q302 3.5 15.0 0.3 W18 A:R5Q302 3.5 20.1 0.3 O55 A:R5Q302 3.6 18.8 0.3 HB2 A:ASP207 3.7 11.9 1.0 HG23 A:THR206 3.7 12.3 1.0 CB A:ASP207 3.7 9.9 1.0 O41 A:R5Q302 3.7 17.6 0.3 O60 A:R5Q302 3.8 23.1 0.3 O59 A:R5Q302 3.8 22.9 0.3 HE A:ARG185 3.8 13.9 1.0 HH22 A:ARG185 3.9 17.0 1.0 O53 A:R5Q302 4.0 17.0 0.3 HB3 A:ASP207 4.0 11.9 1.0 O57 A:R5Q302 4.1 18.7 0.3 O45 A:R5Q302 4.1 14.0 0.3 O46 A:R5Q302 4.2 18.5 0.3 O A:HOH569 4.4 7.8 1.0 CG2 A:THR206 4.5 10.2 1.0 HG22 A:THR206 4.6 12.3 1.0 O42 A:R5Q302 4.6 17.1 0.3 NE A:ARG185 4.6 11.5 1.0 O40 A:R5Q302 4.7 19.9 0.3 NH2 A:ARG185 4.7 14.1 1.0 O56 A:R5Q302 4.7 18.4 0.3 HG21 A:THR206 4.8 12.3 1.0 O54 A:R5Q302 4.8 20.5 0.3 O62 A:R5Q302 4.9 23.3 0.3 W16 A:R5Q302 5.0 14.6 0.3

J.Breibeck, A.Rompel. Co-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K To Be Published.