Tungsten in PDB 7a9m: Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K

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

The structure of Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K, PDB code: 7a9m 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)	40.95 / 1.62
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.01, 68.01, 102.58, 90, 90, 90
R / Rfree (%)	14.7 / 19

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

Nickel	(Ni)	2 atoms
Silicon	(Si)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Tungsten atom in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K (pdb code 7a9m). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 22 binding sites of Tungsten where determined in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K, PDB code: 7a9m:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 22 in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:W302 b:7.1 occ:0.30 W12 A:R5N302 0.0 7.1 0.3 O75 A:R5N302 1.7 9.1 0.3 O40 A:R5N302 1.7 0.3 0.3 O41 A:R5N302 1.9 5.8 0.3 O46 A:R5N302 1.9 7.9 0.3 O43 A:R5N302 2.0 5.5 0.3 O59 A:R5N302 2.4 6.0 0.3 H A:MET55 3.3 6.6 1.0 W19 A:R5N302 3.4 7.3 0.3 W14 A:R5N302 3.4 7.6 0.3 HB1 A:ALA44 3.5 13.8 1.0 SI2 A:R5N302 3.5 6.3 0.3 O76 A:R5N302 3.6 8.2 0.3 NI1 A:R5N302 3.6 11.7 0.3 O47 A:R5N302 3.6 6.5 0.3 W13 A:R5N302 3.6 7.6 0.3 HB2 A:MET55 3.7 11.7 1.0 O60 A:R5N302 3.8 7.5 0.3 O57 A:R5N302 3.8 7.5 0.3 O49 A:R5N302 3.9 7.2 0.3 O A:HOH563 3.9 22.2 1.0 O61 A:R5N302 3.9 8.6 0.3 HA A:GLN54 4.0 11.3 1.0 HG2 A:MET55 4.0 11.0 1.0 N A:MET55 4.2 5.5 1.0 CB A:ALA44 4.3 11.5 1.0 O44 A:R5N302 4.3 6.6 0.3 HB3 A:ALA44 4.3 13.8 1.0 O78 A:R5N302 4.5 14.8 0.3 CB A:MET55 4.5 9.8 1.0 HB2 A:ALA44 4.5 13.8 1.0 CG A:MET55 4.6 9.2 1.0 O58 A:R5N302 4.6 2.0 0.3 O42 A:R5N302 4.7 8.8 0.3 O48 A:R5N302 4.7 8.9 0.3 HG3 A:MET55 4.8 11.0 1.0 O68 A:R5N302 4.8 8.8 0.3 O63 A:R5N302 4.8 9.2 0.3 CA A:GLN54 4.8 9.5 1.0 O62 A:R5N302 4.9 8.1 0.3 HB2 A:GLN54 4.9 9.9 1.0 W18 A:R5N302 4.9 6.5 0.3 CA A:MET55 4.9 7.2 1.0 W15 A:R5N302 5.0 7.8 0.3

Tungsten binding site 2 out of 22 in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:W302 b:7.6 occ:0.30 W13 A:R5N302 0.0 7.6 0.3 O76 A:R5N302 1.6 8.2 0.3 O42 A:R5N302 1.7 8.8 0.3 O41 A:R5N302 1.9 5.8 0.3 O45 A:R5N302 1.9 10.9 0.3 O44 A:R5N302 2.0 6.6 0.3 O60 A:R5N302 2.4 7.5 0.3 HB2 A:SER63 3.3 14.2 1.0 W16 A:R5N302 3.4 8.0 0.3 W15 A:R5N302 3.5 7.8 0.3 SI2 A:R5N302 3.6 6.3 0.3 O51 A:R5N302 3.6 8.8 0.3 NI1 A:R5N302 3.6 11.7 0.3 W12 A:R5N302 3.6 7.1 0.3 O75 A:R5N302 3.7 9.1 0.3 O53 A:R5N302 3.8 8.2 0.3 O59 A:R5N302 3.9 6.0 0.3 O49 A:R5N302 3.9 7.2 0.3 HB2 A:MET55 4.0 11.7 1.0 O61 A:R5N302 4.0 8.6 0.3 O A:HOH508 4.0 19.3 1.0 CB A:SER63 4.2 11.9 1.0 HB3 A:SER63 4.3 14.2 1.0 O43 A:R5N302 4.3 5.5 0.3 HG A:SER63 4.4 21.4 1.0 O77 A:R5N302 4.4 9.0 0.3 HG3 A:MET55 4.6 11.0 1.0 O40 A:R5N302 4.6 0.3 0.3 O52 A:R5N302 4.6 6.5 0.3 OG A:SER63 4.7 17.8 1.0 O50 A:R5N302 4.7 5.1 0.3 CB A:MET55 4.8 9.8 1.0 O65 A:R5N302 4.8 7.7 0.3 O64 A:R5N302 4.9 6.2 0.3 H A:SER63 4.9 8.6 1.0 O62 A:R5N302 4.9 8.1 0.3 W17 A:R5N302 4.9 7.5 0.3 HB3 A:MET55 5.0 11.7 1.0

Tungsten binding site 3 out of 22 in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:W302 b:7.6 occ:0.30 W14 A:R5N302 0.0 7.6 0.3 O48 A:R5N302 1.7 8.9 0.3 O43 A:R5N302 1.8 5.5 0.3 O49 A:R5N302 1.9 7.2 0.3 O63 A:R5N302 1.9 9.2 0.3 O47 A:R5N302 1.9 6.5 0.3 O59 A:R5N302 2.4 6.0 0.3 W19 A:R5N302 3.4 7.3 0.3 W12 A:R5N302 3.4 7.1 0.3 O46 A:R5N302 3.4 7.9 0.3 SI2 A:R5N302 3.6 6.3 0.3 O64 A:R5N302 3.6 6.2 0.3 W15 A:R5N302 3.7 7.8 0.3 W20 A:R5N302 3.7 7.7 0.3 O41 A:R5N302 3.8 5.8 0.3 O68 A:R5N302 3.8 8.8 0.3 O60 A:R5N302 3.9 7.5 0.3 O62 A:R5N302 3.9 8.1 0.3 O44 A:R5N302 4.3 6.6 0.3 O69 A:R5N302 4.3 7.8 0.3 O A:HOH563 4.5 22.2 1.0 O40 A:R5N302 4.6 0.3 0.3 O75 A:R5N302 4.6 9.1 0.3 O58 A:R5N302 4.6 2.0 0.3 O50 A:R5N302 4.6 5.1 0.3 O70 A:R5N302 4.6 6.1 0.3 O57 A:R5N302 4.9 7.5 0.3 O61 A:R5N302 4.9 8.6 0.3

Tungsten binding site 4 out of 22 in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:W302 b:7.8 occ:0.30 W15 A:R5N302 0.0 7.8 0.3 O50 A:R5N302 1.7 5.1 0.3 O44 A:R5N302 1.8 6.6 0.3 O51 A:R5N302 1.9 8.8 0.3 O49 A:R5N302 1.9 7.2 0.3 O64 A:R5N302 1.9 6.2 0.3 O60 A:R5N302 2.4 7.5 0.3 W16 A:R5N302 3.4 8.0 0.3 W13 A:R5N302 3.5 7.6 0.3 O45 A:R5N302 3.5 10.9 0.3 SI2 A:R5N302 3.6 6.3 0.3 O63 A:R5N302 3.6 9.2 0.3 W14 A:R5N302 3.7 7.6 0.3 W20 A:R5N302 3.7 7.7 0.3 O41 A:R5N302 3.8 5.8 0.3 O65 A:R5N302 3.8 7.7 0.3 O62 A:R5N302 3.9 8.1 0.3 O59 A:R5N302 3.9 6.0 0.3 O43 A:R5N302 4.2 5.5 0.3 O71 A:R5N302 4.3 7.8 0.3 O76 A:R5N302 4.6 8.2 0.3 O70 A:R5N302 4.6 6.1 0.3 O48 A:R5N302 4.6 8.9 0.3 O52 A:R5N302 4.7 6.5 0.3 O42 A:R5N302 4.7 8.8 0.3 O53 A:R5N302 4.8 8.2 0.3 O61 A:R5N302 5.0 8.6 0.3 W12 A:R5N302 5.0 7.1 0.3

Tungsten binding site 5 out of 22 in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:W302 b:8.0 occ:0.30 W16 A:R5N302 0.0 8.0 0.3 O52 A:R5N302 1.7 6.5 0.3 O53 A:R5N302 1.9 8.2 0.3 O65 A:R5N302 1.9 7.7 0.3 O51 A:R5N302 1.9 8.8 0.3 O45 A:R5N302 1.9 10.9 0.3 O60 A:R5N302 2.5 7.5 0.3 W15 A:R5N302 3.4 7.8 0.3 W13 A:R5N302 3.4 7.6 0.3 SI2 A:R5N302 3.6 6.3 0.3 O76 A:R5N302 3.6 8.2 0.3 O44 A:R5N302 3.6 6.6 0.3 O66 A:R5N302 3.6 6.6 0.3 W21 A:R5N302 3.6 7.6 0.3 W17 A:R5N302 3.7 7.5 0.3 O64 A:R5N302 3.9 6.2 0.3 O62 A:R5N302 3.9 8.1 0.3 O61 A:R5N302 3.9 8.6 0.3 O A:HOH508 3.9 19.3 1.0 O77 A:R5N302 4.3 9.0 0.3 O71 A:R5N302 4.3 7.8 0.3 O72 A:R5N302 4.5 10.6 0.3 O54 A:R5N302 4.6 8.6 0.3 O42 A:R5N302 4.6 8.8 0.3 O50 A:R5N302 4.7 5.1 0.3 O41 A:R5N302 4.9 5.8 0.3 O49 A:R5N302 4.9 7.2 0.3 O59 A:R5N302 4.9 6.0 0.3 W20 A:R5N302 5.0 7.7 0.3

Tungsten binding site 6 out of 22 in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:W302 b:7.5 occ:0.30 W17 A:R5N302 0.0 7.5 0.3 O77 A:R5N302 1.7 9.0 0.3 O54 A:R5N302 1.7 8.6 0.3 O55 A:R5N302 1.9 9.5 0.3 O53 A:R5N302 1.9 8.2 0.3 O66 A:R5N302 2.0 6.6 0.3 O61 A:R5N302 2.3 8.6 0.3 HB2 A:ARG64 3.1 17.8 1.0 W18 A:R5N302 3.4 6.5 0.3 NI1 A:R5N302 3.4 11.7 0.3 O78 A:R5N302 3.5 14.8 0.3 SI2 A:R5N302 3.5 6.3 0.3 W16 A:R5N302 3.7 8.0 0.3 O65 A:R5N302 3.7 7.7 0.3 O76 A:R5N302 3.7 8.2 0.3 W21 A:R5N302 3.7 7.6 0.3 O67 A:R5N302 3.8 6.9 0.3 O60 A:R5N302 3.9 7.5 0.3 O62 A:R5N302 3.9 8.1 0.3 O A:HOH403 4.1 39.5 1.0 CB A:ARG64 4.1 14.9 1.0 HD2 A:ARG64 4.1 31.2 1.0 HA A:ARG64 4.1 11.3 1.0 HG3 A:ARG64 4.3 27.7 1.0 O A:HOH609 4.4 12.3 1.0 O45 A:R5N302 4.5 10.9 0.3 O73 A:R5N302 4.5 9.4 0.3 CA A:ARG64 4.6 9.4 1.0 O56 A:R5N302 4.6 6.9 0.3 O72 A:R5N302 4.6 10.6 0.3 O52 A:R5N302 4.6 6.5 0.3 CG A:ARG64 4.6 23.1 1.0 HB3 A:ARG64 4.7 17.8 1.0 CD A:ARG64 4.8 26.0 1.0 O57 A:R5N302 4.9 7.5 0.3 O75 A:R5N302 4.9 9.1 0.3 O59 A:R5N302 4.9 6.0 0.3 W13 A:R5N302 4.9 7.6 0.3

Tungsten binding site 7 out of 22 in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:W302 b:6.5 occ:0.30 W18 A:R5N302 0.0 6.5 0.3 O78 A:R5N302 1.6 14.8 0.3 O56 A:R5N302 1.7 6.9 0.3 O55 A:R5N302 1.9 9.5 0.3 O57 A:R5N302 1.9 7.5 0.3 O67 A:R5N302 2.0 6.9 0.3 O61 A:R5N302 2.3 8.6 0.3 O A:HOH403 2.5 39.5 1.0 H A:SER45 3.1 9.1 1.0 HB3 A:SER45 3.2 12.0 1.0 HG A:SER45 3.3 14.1 1.0 W17 A:R5N302 3.4 7.5 0.3 NI1 A:R5N302 3.4 11.7 0.3 SI2 A:R5N302 3.5 6.3 0.3 O77 A:R5N302 3.6 9.0 0.3 H A:ALA44 3.6 11.9 1.0 O75 A:R5N302 3.6 9.1 0.3 O68 A:R5N302 3.7 8.8 0.3 W19 A:R5N302 3.7 7.3 0.3 W22 A:R5N302 3.8 7.6 0.3 OG A:SER45 3.8 11.7 1.0 N A:SER45 3.8 7.6 1.0 HG3 A:GLU43 3.8 13.3 1.0 O66 A:R5N302 3.8 6.6 0.3 HA A:GLU43 3.9 10.8 1.0 O59 A:R5N302 3.9 6.0 0.3 CB A:SER45 3.9 10.0 1.0 O62 A:R5N302 4.0 8.1 0.3 N A:ALA44 4.1 9.9 1.0 HB1 A:ALA44 4.1 13.8 1.0 O A:HOH609 4.3 12.3 1.0 HG2 A:GLU43 4.4 13.3 1.0 O46 A:R5N302 4.5 7.9 0.3 CA A:SER45 4.5 8.5 1.0 O73 A:R5N302 4.5 9.4 0.3 CG A:GLU43 4.5 11.1 1.0 C A:GLU43 4.5 8.6 1.0 O58 A:R5N302 4.6 2.0 0.3 CA A:GLU43 4.6 9.0 1.0 O74 A:R5N302 4.6 11.2 0.3 O54 A:R5N302 4.7 8.6 0.3 HB2 A:SER45 4.7 12.0 1.0 C A:ALA44 4.7 8.6 1.0 CA A:ALA44 4.7 10.5 1.0 O53 A:R5N302 4.8 8.2 0.3 O76 A:R5N302 4.8 8.2 0.3 O60 A:R5N302 4.9 7.5 0.3 CB A:ALA44 4.9 11.5 1.0 W12 A:R5N302 4.9 7.1 0.3

Tungsten binding site 8 out of 22 in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:W302 b:7.3 occ:0.30 W19 A:R5N302 0.0 7.3 0.3 O58 A:R5N302 1.7 2.0 0.3 O68 A:R5N302 1.8 8.8 0.3 O57 A:R5N302 1.9 7.5 0.3 O47 A:R5N302 1.9 6.5 0.3 O46 A:R5N302 1.9 7.9 0.3 O59 A:R5N302 2.3 6.0 0.3 HB1 A:ALA44 3.3 13.8 1.0 W14 A:R5N302 3.4 7.6 0.3 W12 A:R5N302 3.4 7.1 0.3 HB3 A:SER45 3.4 12.0 1.0 O75 A:R5N302 3.5 9.1 0.3 SI2 A:R5N302 3.5 6.3 0.3 O43 A:R5N302 3.6 5.5 0.3 O67 A:R5N302 3.6 6.9 0.3 W22 A:R5N302 3.6 7.6 0.3 W18 A:R5N302 3.7 6.5 0.3 O63 A:R5N302 3.8 9.2 0.3 O62 A:R5N302 3.8 8.1 0.3 O61 A:R5N302 3.9 8.6 0.3 H A:SER45 4.0 9.1 1.0 O A:HOH638 4.0 23.2 1.0 O A:HOH563 4.0 22.2 1.0 N A:SER45 4.0 7.6 1.0 CB A:ALA44 4.1 11.5 1.0 HA A:SER45 4.1 10.2 1.0 HB2 A:ALA44 4.1 13.8 1.0 CB A:SER45 4.3 10.0 1.0 O69 A:R5N302 4.3 7.8 0.3 C A:ALA44 4.3 8.6 1.0 O78 A:R5N302 4.4 14.8 0.3 CA A:SER45 4.4 8.5 1.0 O74 A:R5N302 4.5 11.2 0.3 O40 A:R5N302 4.6 0.3 0.3 O56 A:R5N302 4.6 6.9 0.3 O48 A:R5N302 4.6 8.9 0.3 HB2 A:SER45 4.7 12.0 1.0 CA A:ALA44 4.7 10.5 1.0 O49 A:R5N302 4.8 7.2 0.3 O60 A:R5N302 4.8 7.5 0.3 HB3 A:ALA44 4.8 13.8 1.0 O41 A:R5N302 4.8 5.8 0.3 O A:ALA44 4.9 8.5 1.0 H A:ALA44 4.9 11.9 1.0 W20 A:R5N302 5.0 7.7 0.3

Tungsten binding site 9 out of 22 in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:W302 b:7.7 occ:0.30 W20 A:R5N302 0.0 7.7 0.3 O70 A:R5N302 1.7 6.1 0.3 O69 A:R5N302 1.8 7.8 0.3 O64 A:R5N302 1.9 6.2 0.3 O71 A:R5N302 1.9 7.8 0.3 O63 A:R5N302 2.0 9.2 0.3 O62 A:R5N302 2.4 8.1 0.3 W21 A:R5N302 3.4 7.6 0.3 W22 A:R5N302 3.4 7.6 0.3 O73 A:R5N302 3.4 9.4 0.3 SI2 A:R5N302 3.6 6.3 0.3 O49 A:R5N302 3.6 7.2 0.3 W15 A:R5N302 3.7 7.8 0.3 W14 A:R5N302 3.7 7.6 0.3 O65 A:R5N302 3.8 7.7 0.3 O68 A:R5N302 3.8 8.8 0.3 O60 A:R5N302 3.9 7.5 0.3 O59 A:R5N302 3.9 6.0 0.3 O51 A:R5N302 4.3 8.8 0.3 O47 A:R5N302 4.4 6.5 0.3 O74 A:R5N302 4.6 11.2 0.3 O48 A:R5N302 4.6 8.9 0.3 O72 A:R5N302 4.6 10.6 0.3 O50 A:R5N302 4.6 5.1 0.3 O66 A:R5N302 4.8 6.6 0.3 O67 A:R5N302 4.8 6.9 0.3 O61 A:R5N302 4.9 8.6 0.3 W19 A:R5N302 5.0 7.3 0.3 W16 A:R5N302 5.0 8.0 0.3

Tungsten binding site 10 out of 22 in the Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Ni-Substituted Keggin Silicotungstate with Covalent Bond to Proteinase K within 5.0Å range: probe atom residue distance (Å) B Occ A:W302 b:7.6 occ:0.30 W21 A:R5N302 0.0 7.6 0.3 O72 A:R5N302 1.7 10.6 0.3 O66 A:R5N302 1.9 6.6 0.3 O73 A:R5N302 1.9 9.4 0.3 O65 A:R5N302 1.9 7.7 0.3 O71 A:R5N302 1.9 7.8 0.3 O62 A:R5N302 2.4 8.1 0.3 W22 A:R5N302 3.4 7.6 0.3 W20 A:R5N302 3.4 7.7 0.3 SI2 A:R5N302 3.5 6.3 0.3 O53 A:R5N302 3.5 8.2 0.3 O69 A:R5N302 3.6 7.8 0.3 W16 A:R5N302 3.6 8.0 0.3 W17 A:R5N302 3.7 7.5 0.3 O67 A:R5N302 3.8 6.9 0.3 O61 A:R5N302 3.8 8.6 0.3 O64 A:R5N302 3.8 6.2 0.3 O60 A:R5N302 3.9 7.5 0.3 O A:HOH565 4.0 29.8 1.0 O51 A:R5N302 4.3 8.8 0.3 O55 A:R5N302 4.3 9.5 0.3 O A:HOH574 4.4 42.4 1.0 O54 A:R5N302 4.5 8.6 0.3 O74 A:R5N302 4.6 11.2 0.3 O52 A:R5N302 4.6 6.5 0.3 O A:HOH684 4.6 43.1 1.0 O70 A:R5N302 4.7 6.1 0.3 O68 A:R5N302 4.8 8.8 0.3 O59 A:R5N302 4.9 6.0 0.3 O63 A:R5N302 4.9 9.2 0.3

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