Cobalt in PDB 7a9k: 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: 7a9k 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)	43.56 / 1.62
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.05, 68.05, 102.47, 90, 90, 90
R / Rfree (%)	13.1 / 16.6

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 7a9k). 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: 7a9k:
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:Co302 b:66.9 occ:0.20 CO1 A:R5Q302 0.0 66.9 0.2 OD2 A:ASP207 1.8 16.7 1.0 O76 A:R5Q302 2.1 71.2 0.2 O75 A:R5Q302 2.1 68.8 0.2 O77 A:R5Q302 2.1 50.2 0.2 O78 A:R5Q302 2.2 46.0 0.2 O61 A:R5Q302 2.5 76.2 0.2 CG A:ASP207 2.9 15.8 1.0 SI2 A:R5Q302 3.3 79.7 0.2 W18 A:R5Q302 3.4 34.0 0.2 W17 A:R5Q302 3.5 79.7 0.2 W12 A:R5Q302 3.6 89.7 0.2 O59 A:R5Q302 3.6 83.3 0.2 OD1 A:ASP207 3.7 11.9 1.0 HB2 A:ASP207 3.7 7.0 1.0 W13 A:R5Q302 3.7 78.5 0.2 O41 A:R5Q302 3.7 92.5 0.2 O60 A:R5Q302 3.7 87.2 0.2 HE A:ARG185 3.8 14.9 1.0 O55 A:R5Q302 3.8 54.5 0.2 CB A:ASP207 3.8 5.8 1.0 O57 A:R5Q302 3.8 53.5 0.2 O53 A:R5Q302 3.9 80.1 0.2 HH22 A:ARG185 3.9 12.7 1.0 HB3 A:ASP207 3.9 7.0 1.0 HG23 A:THR206 3.9 7.4 1.0 O46 A:R5Q302 4.2 66.7 0.2 O45 A:R5Q302 4.4 87.1 0.2 O40 A:R5Q302 4.6 76.5 0.2 NE A:ARG185 4.6 12.4 1.0 O A:HOH606 4.6 6.0 1.0 O42 A:R5Q302 4.7 70.9 0.2 O62 A:R5Q302 4.7 81.9 0.2 NH2 A:ARG185 4.7 10.6 1.0 CG2 A:THR206 4.7 6.2 1.0 W19 A:R5Q302 4.7 41.5 0.2 O A:HOH689 4.8 35.0 1.0 O56 A:R5Q302 4.8 32.1 0.2 HG22 A:THR206 4.8 7.4 1.0 O54 A:R5Q302 4.8 61.8 0.2 O67 A:R5Q302 4.9 50.6 0.2 HG21 A:THR206 4.9 7.4 1.0 O66 A:R5Q302 5.0 69.9 0.2 W16 A:R5Q302 5.0 81.1 0.2

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:Co303 b:9.0 occ:0.30 CO1 A:R5Q303 0.0 9.0 0.3 O A:HOH423 2.1 20.9 1.0 O76 A:R5Q303 2.1 7.4 0.3 O77 A:R5Q303 2.1 6.4 0.3 O75 A:R5Q303 2.1 6.8 0.3 O78 A:R5Q303 2.2 11.4 0.3 O61 A:R5Q303 2.5 7.7 0.3 HG A:SER63 3.1 24.7 1.0 W17 A:R5Q303 3.3 7.5 0.3 HG3 A:MET55 3.3 10.2 1.0 W18 A:R5Q303 3.4 6.6 0.3 HA A:ARG64 3.5 10.6 1.0 HG2 A:MET55 3.6 10.2 1.0 SI2 A:R5Q303 3.6 4.8 0.3 W13 A:R5Q303 3.6 7.8 0.3 O55 A:R5Q303 3.6 10.9 0.3 W12 A:R5Q303 3.6 7.4 0.3 O41 A:R5Q303 3.7 5.1 0.3 OG A:SER63 3.8 20.6 1.0 O53 A:R5Q303 3.8 5.7 0.3 O60 A:R5Q303 3.9 6.4 0.3 CG A:MET55 3.9 8.5 1.0 O57 A:R5Q303 3.9 5.6 0.3 O59 A:R5Q303 3.9 5.1 0.3 O A:ILE42 4.1 6.7 1.0 H A:ALA44 4.1 10.3 1.0 O A:HOH628 4.2 10.4 1.0 O A:SER63 4.2 7.9 1.0 CA A:ARG64 4.3 8.9 1.0 HB2 A:MET55 4.3 9.7 1.0 HB2 A:ARG64 4.4 15.5 1.0 C A:SER63 4.4 8.2 1.0 O45 A:R5Q303 4.4 10.1 0.3 HB1 A:ALA44 4.4 13.6 1.0 N A:ARG64 4.4 9.1 1.0 O46 A:R5Q303 4.5 6.8 0.3 HA A:GLU43 4.6 11.6 1.0 O42 A:R5Q303 4.6 7.9 0.3 O40 A:R5Q303 4.6 0.3 0.3 O54 A:R5Q303 4.7 9.2 0.3 O56 A:R5Q303 4.7 6.3 0.3 CB A:MET55 4.7 8.1 1.0 O66 A:R5Q303 4.8 6.7 0.3 H A:ARG64 4.9 11.0 1.0 O67 A:R5Q303 4.9 7.4 0.3 CB A:ARG64 4.9 12.9 1.0 H A:ASP65 4.9 8.9 1.0 CB A:SER63 4.9 11.1 1.0 O62 A:R5Q303 4.9 6.0 0.3 N A:ALA44 4.9 8.6 1.0 W16 A:R5Q303 5.0 7.6 0.3

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