Tungsten in PDB 6qsf: Crystal Structure of PIZZA6S in the Presence of Keggin (Sta)

The structure of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta), PDB code: 6qsf was solved by H.Noguchi, L.Vandebroek, K.Kamata, J.R.H.Tame, L.Van Meervelt, T.N.Parac-Vogt, A.R.D.Voet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.64 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	49.244, 69.777, 62.675, 90.00, 104.67, 90.00
R / Rfree (%)	22.4 / 23.8

The structure of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) also contains other interesting chemical elements:

Silicon

(Si)

3 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 36;

Binding sites:

The binding sites of Tungsten atom in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) (pdb code 6qsf). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 36 binding sites of Tungsten where determined in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta), PDB code: 6qsf:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 36 in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:12.0 occ:0.97 W1 A:SIW301 0.0 12.0 1.0 O12 A:SIW301 1.6 15.3 1.0 O8 A:SIW301 1.9 16.2 1.0 O9 A:SIW301 1.9 20.1 1.0 O18 A:SIW301 2.0 16.9 1.0 O20 A:SIW301 2.0 21.8 1.0 O4 A:SIW301 2.3 13.5 1.0 SI1 A:SIW301 3.5 11.5 1.0 W2 A:SIW301 3.5 12.2 1.0 W3 A:SIW301 3.6 12.3 1.0 W4E A:SIW301 3.6 11.1 1.0 W5E A:SIW301 3.6 12.3 1.0 O1 A:SIW301 3.7 14.1 1.0 O2E A:SIW301 3.7 21.0 1.0 O21 A:SIW301 3.9 12.3 1.0 OG A:SER16 3.9 16.3 1.0 O22 A:SIW301 4.0 17.6 1.0 O23E A:SIW301 4.0 15.1 1.0 O16E A:SIW301 4.0 19.9 1.0 CB A:SER226 4.1 15.2 1.0 O17 A:SIW301 4.1 28.1 1.0 O7 A:SIW301 4.1 21.7 1.0 CB A:SER184 4.2 19.0 1.0 O A:HOH523 4.4 14.4 0.6 O A:HOH497 4.5 24.3 1.0 O11 A:SIW301 4.6 19.7 1.0 O13E A:SIW301 4.6 24.4 1.0 O14E A:SIW301 4.6 20.9 1.0 O10 A:SIW301 4.7 14.9 1.0 CA A:SER226 4.7 13.6 1.0 O19E A:SIW301 4.9 15.0 1.0 CB A:SER16 5.0 13.9 1.0 W6 A:SIW301 5.0 13.1 1.0

Tungsten binding site 2 out of 36 in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:19.1 occ:0.97 W1E A:SIW301 0.0 19.1 1.0 O12E A:SIW301 1.6 50.1 1.0 O8E A:SIW301 1.9 21.8 1.0 O9E A:SIW301 1.9 21.6 1.0 O18E A:SIW301 2.0 18.0 1.0 O20E A:SIW301 2.0 17.9 1.0 O19E A:SIW301 2.3 15.0 1.0 SI1 A:SIW301 3.5 11.5 1.0 O A:HOH407 3.5 28.4 1.0 W4 A:SIW301 3.5 13.3 1.0 W5 A:SIW301 3.5 14.9 1.0 W2E A:SIW301 3.6 13.3 1.0 W3E A:SIW301 3.6 13.3 1.0 O2 A:SIW301 3.7 19.6 1.0 O1E A:SIW301 3.7 21.1 1.0 O A:HOH504 3.7 32.2 1.0 O22 A:SIW301 3.9 17.6 1.0 O B:HOH404 3.9 37.7 1.0 O A:HOH510 3.9 34.9 1.0 O21 A:SIW301 3.9 12.3 1.0 O23 A:SIW301 4.0 23.8 1.0 O16 A:SIW301 4.1 25.5 1.0 O7E A:SIW301 4.1 14.9 1.0 O17E A:SIW301 4.1 18.9 1.0 O B:HOH461 4.3 30.8 1.0 O11E A:SIW301 4.6 18.2 1.0 O13 A:SIW301 4.6 27.1 1.0 CA B:GLY42 4.6 23.9 1.0 O14 A:SIW301 4.6 17.1 1.0 O10E A:SIW301 4.7 19.7 1.0 N B:GLY42 4.8 23.7 1.0 O4 A:SIW301 4.9 13.5 1.0 W6 A:SIW301 5.0 13.1 1.0

Tungsten binding site 3 out of 36 in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:12.2 occ:0.97 W2 A:SIW301 0.0 12.2 1.0 O10 A:SIW301 1.7 14.9 1.0 O7 A:SIW301 1.9 21.7 1.0 O8 A:SIW301 1.9 16.2 1.0 O3 A:SIW301 2.0 20.8 1.0 O1 A:SIW301 2.0 14.1 1.0 O21 A:SIW301 2.3 12.3 1.0 W4 A:SIW301 3.5 13.3 1.0 SI1 A:SIW301 3.5 11.5 1.0 W1 A:SIW301 3.5 12.0 1.0 W3 A:SIW301 3.6 12.3 1.0 W7 A:SIW301 3.6 12.5 1.0 O9 A:SIW301 3.6 20.1 1.0 O16 A:SIW301 3.6 25.5 1.0 O4 A:SIW301 3.7 13.5 1.0 CE1 A:HIS241 3.7 18.1 1.0 O22 A:SIW301 3.8 17.6 1.0 OG A:SER16 3.9 16.3 1.0 ND1 A:HIS241 4.0 17.3 1.0 O16E A:SIW301 4.0 19.9 1.0 O2 A:SIW301 4.0 19.6 1.0 O18 A:SIW301 4.0 16.9 1.0 CB A:SER16 4.1 13.9 1.0 O15 A:SIW301 4.3 16.6 1.0 CA A:SER16 4.5 13.7 1.0 O14 A:SIW301 4.6 17.1 1.0 ND1 A:HIS31 4.6 16.8 1.0 O12 A:SIW301 4.6 15.3 1.0 NE2 A:HIS241 4.6 19.2 1.0 CE1 A:HIS31 4.6 22.3 1.0 O11 A:SIW301 4.6 19.7 1.0 O A:THR14 4.6 19.9 1.0 NE2 A:HIS31 4.6 20.7 1.0 O6 A:SIW301 4.7 17.3 1.0 CG A:HIS31 4.7 14.4 1.0 O19E A:SIW301 4.7 15.0 1.0 CD2 A:HIS31 4.7 16.3 1.0 O A:PRO15 4.8 17.3 1.0 O18E A:SIW301 4.9 18.0 1.0 CB A:SER226 5.0 15.2 1.0 CG A:HIS241 5.0 19.6 1.0 O A:HOH445 5.0 36.3 1.0

Tungsten binding site 4 out of 36 in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:13.3 occ:0.97 W2E A:SIW301 0.0 13.3 1.0 O10E A:SIW301 1.7 19.7 1.0 O7E A:SIW301 1.9 14.9 1.0 O8E A:SIW301 1.9 21.8 1.0 O3E A:SIW301 2.0 12.8 1.0 O1E A:SIW301 2.0 21.1 1.0 O19E A:SIW301 2.6 15.0 1.0 W7 A:SIW301 3.5 12.5 1.0 W4E A:SIW301 3.5 11.1 1.0 W1E A:SIW301 3.6 19.1 1.0 W3E A:SIW301 3.6 13.3 1.0 SI1 A:SIW301 3.6 11.5 1.0 O9E A:SIW301 3.6 21.6 1.0 O16E A:SIW301 3.7 19.9 1.0 O A:HOH504 3.8 32.2 1.0 CE1 A:HIS115 3.8 34.6 1.0 CE1 A:HIS73 3.9 18.5 1.0 O16 A:SIW301 4.0 25.5 1.0 O2E A:SIW301 4.0 21.0 1.0 O18E A:SIW301 4.0 18.0 1.0 O4 A:SIW301 4.0 13.5 1.0 O21 A:SIW301 4.1 12.3 1.0 ND1 A:HIS115 4.2 27.9 1.0 O15E A:SIW301 4.3 17.8 1.0 ND1 A:HIS73 4.3 18.8 1.0 N B:GLY42 4.3 23.7 1.0 CA B:GLY42 4.4 23.9 1.0 C B:ALA41 4.5 25.3 1.0 O12E A:SIW301 4.6 50.1 1.0 O14E A:SIW301 4.6 20.9 1.0 O11E A:SIW301 4.6 18.2 1.0 O6 A:SIW301 4.6 17.3 1.0 O B:ALA41 4.7 25.2 1.0 CB B:ALA41 4.7 28.4 1.0 NE2 A:HIS115 4.9 40.4 1.0 O18 A:SIW301 4.9 16.9 1.0

Tungsten binding site 5 out of 36 in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:12.3 occ:0.97 W3 A:SIW301 0.0 12.3 1.0 O11 A:SIW301 1.7 19.7 1.0 O9 A:SIW301 1.8 20.1 1.0 O1 A:SIW301 1.9 14.1 1.0 O17 A:SIW301 2.0 28.1 1.0 O15 A:SIW301 2.1 16.6 1.0 O22 A:SIW301 2.4 17.6 1.0 W5 A:SIW301 3.5 14.9 1.0 SI1 A:SIW301 3.5 11.5 1.0 W6 A:SIW301 3.5 13.1 1.0 W1 A:SIW301 3.6 12.0 1.0 W2 A:SIW301 3.6 12.2 1.0 O4 A:SIW301 3.7 13.5 1.0 O23 A:SIW301 3.7 23.8 1.0 O8 A:SIW301 3.7 16.2 1.0 O21 A:SIW301 3.8 12.3 1.0 NE2 A:HIS199 3.8 20.2 1.0 O2 A:SIW301 4.0 19.6 1.0 CD2 A:HIS199 4.0 15.2 1.0 O20 A:SIW301 4.0 21.8 1.0 O23E A:SIW301 4.1 15.1 1.0 O3 A:SIW301 4.2 20.8 1.0 CB A:SER226 4.3 15.2 1.0 CD2 A:HIS241 4.3 16.4 1.0 NE2 A:HIS241 4.3 19.2 1.0 CE1 A:HIS241 4.4 18.1 1.0 CG A:HIS241 4.4 19.6 1.0 ND1 A:HIS241 4.4 17.3 1.0 CE1 A:HIS199 4.5 24.8 1.0 O12 A:SIW301 4.5 15.3 1.0 O5 A:SIW301 4.6 16.9 1.0 O13 A:SIW301 4.6 27.1 1.0 O19E A:SIW301 4.7 15.0 1.0 O10 A:SIW301 4.8 14.9 1.0 CG A:HIS199 4.8 17.6 1.0 CA A:SER226 4.9 13.6 1.0 O A:THR224 4.9 16.6 1.0 O A:PRO225 5.0 18.2 1.0

Tungsten binding site 6 out of 36 in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:13.3 occ:0.97 W3E A:SIW301 0.0 13.3 1.0 O11E A:SIW301 1.6 18.2 1.0 O9E A:SIW301 1.8 21.6 1.0 O1E A:SIW301 1.9 21.1 1.0 O17E A:SIW301 2.0 18.9 1.0 O15E A:SIW301 2.1 17.8 1.0 O19E A:SIW301 2.6 15.0 1.0 W5E A:SIW301 3.5 12.3 1.0 W6 A:SIW301 3.5 13.1 1.0 W1E A:SIW301 3.6 19.1 1.0 SI1 A:SIW301 3.6 11.5 1.0 W2E A:SIW301 3.6 13.3 1.0 O23E A:SIW301 3.7 15.1 1.0 O8E A:SIW301 3.7 21.8 1.0 O A:HOH408 3.7 23.2 0.7 O A:HOH407 3.8 28.4 1.0 O2E A:SIW301 3.9 21.0 1.0 O4 A:SIW301 4.0 13.5 1.0 O A:HOH403 4.0 37.4 1.0 NE2 A:HIS157 4.0 21.1 1.0 O22 A:SIW301 4.0 17.6 1.0 O20E A:SIW301 4.0 17.9 1.0 CE1 A:HIS115 4.1 34.6 1.0 O A:HOH504 4.1 32.2 1.0 O23 A:SIW301 4.1 23.8 1.0 O3E A:SIW301 4.3 12.8 1.0 NE2 A:HIS115 4.5 40.4 1.0 CD2 A:HIS157 4.5 17.0 1.0 CE1 A:HIS157 4.5 22.5 1.0 O12E A:SIW301 4.5 50.1 1.0 O5 A:SIW301 4.6 16.9 1.0 O13E A:SIW301 4.6 24.4 1.0 O10E A:SIW301 4.8 19.7 1.0 O20 A:SIW301 5.0 21.8 1.0

Tungsten binding site 7 out of 36 in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:13.3 occ:0.97 W4 A:SIW301 0.0 13.3 1.0 O14 A:SIW301 1.7 17.1 1.0 O18E A:SIW301 1.8 18.0 1.0 O2 A:SIW301 2.0 19.6 1.0 O16 A:SIW301 2.0 25.5 1.0 O3 A:SIW301 2.1 20.8 1.0 O21 A:SIW301 2.3 12.3 1.0 O A:HOH445 3.5 36.3 1.0 W2 A:SIW301 3.5 12.2 1.0 SI1 A:SIW301 3.5 11.5 1.0 W1E A:SIW301 3.5 19.1 1.0 W5 A:SIW301 3.6 14.9 1.0 W7 A:SIW301 3.6 12.5 1.0 O19E A:SIW301 3.6 15.0 1.0 O7 A:SIW301 3.7 21.7 1.0 O20E A:SIW301 3.7 17.9 1.0 O A:HOH510 3.8 34.9 1.0 O22 A:SIW301 3.8 17.6 1.0 O8E A:SIW301 4.0 21.8 1.0 CE1 A:HIS31 4.0 22.3 1.0 O1 A:SIW301 4.1 14.1 1.0 NE2 A:HIS31 4.1 20.7 1.0 O7E A:SIW301 4.2 14.9 1.0 O15 A:SIW301 4.2 16.6 1.0 CA B:GLY42 4.2 23.9 1.0 O B:GLY42 4.2 23.1 1.0 O12E A:SIW301 4.6 50.1 1.0 O10 A:SIW301 4.6 14.9 1.0 O6 A:SIW301 4.7 17.3 1.0 O13 A:SIW301 4.7 27.1 1.0 C B:GLY42 4.7 25.1 1.0 O4 A:SIW301 4.7 13.5 1.0 ND1 A:HIS31 4.9 16.8 1.0 CE1 A:HIS241 5.0 18.1 1.0

Tungsten binding site 8 out of 36 in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:11.1 occ:0.97 W4E A:SIW301 0.0 11.1 1.0 O14E A:SIW301 1.7 20.9 1.0 O18 A:SIW301 1.8 16.9 1.0 O16E A:SIW301 2.0 19.9 1.0 O2E A:SIW301 2.0 21.0 1.0 O3E A:SIW301 2.1 12.8 1.0 O4 A:SIW301 2.6 13.5 1.0 W7 A:SIW301 3.5 12.5 1.0 W2E A:SIW301 3.5 13.3 1.0 W1 A:SIW301 3.6 12.0 1.0 W5E A:SIW301 3.6 12.3 1.0 SI1 A:SIW301 3.6 11.5 1.0 O20 A:SIW301 3.7 21.8 1.0 O7E A:SIW301 3.8 14.9 1.0 CE1 A:HIS73 4.0 18.5 1.0 O19E A:SIW301 4.0 15.0 1.0 O8 A:SIW301 4.0 16.2 1.0 O1E A:SIW301 4.0 21.1 1.0 O21 A:SIW301 4.1 12.3 1.0 OG A:SER100 4.2 29.8 1.0 O A:HOH523 4.2 14.4 0.6 O7 A:SIW301 4.2 21.7 1.0 CB A:SER58 4.2 17.9 1.0 O15E A:SIW301 4.2 17.8 1.0 NE2 A:HIS73 4.4 15.0 1.0 OG A:SER58 4.4 15.6 1.0 CB A:SER100 4.5 19.7 1.0 O6 A:SIW301 4.6 17.3 1.0 O12 A:SIW301 4.6 15.3 1.0 O10E A:SIW301 4.7 19.7 1.0 O13E A:SIW301 4.7 24.4 1.0 CA A:SER100 4.9 12.2 1.0 CE1 A:HIS115 5.0 34.6 1.0 O16 A:SIW301 5.0 25.5 1.0

Tungsten binding site 9 out of 36 in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:14.9 occ:0.97 W5 A:SIW301 0.0 14.9 1.0 O13 A:SIW301 1.7 27.1 1.0 O23 A:SIW301 1.8 23.8 1.0 O20E A:SIW301 1.9 17.9 1.0 O2 A:SIW301 1.9 19.6 1.0 O15 A:SIW301 1.9 16.6 1.0 O22 A:SIW301 2.3 17.6 1.0 SI1 A:SIW301 3.5 11.5 1.0 W3 A:SIW301 3.5 12.3 1.0 W1E A:SIW301 3.5 19.1 1.0 W6 A:SIW301 3.6 13.1 1.0 W4 A:SIW301 3.6 13.3 1.0 O17 A:SIW301 3.6 28.1 1.0 O18E A:SIW301 3.6 18.0 1.0 O19E A:SIW301 3.7 15.0 1.0 O A:HOH407 3.7 28.4 1.0 O21 A:SIW301 3.8 12.3 1.0 O A:HOH461 3.9 30.9 1.0 O1 A:SIW301 4.0 14.1 1.0 O9E A:SIW301 4.0 21.6 1.0 O17E A:SIW301 4.0 18.9 1.0 O A:HOH511 4.1 49.8 1.0 O A:HOH445 4.2 36.3 1.0 O3 A:SIW301 4.3 20.8 1.0 O A:HOH513 4.4 33.0 1.0 O5 A:SIW301 4.6 16.9 1.0 O12E A:SIW301 4.6 50.1 1.0 O11 A:SIW301 4.6 19.7 1.0 O14 A:SIW301 4.6 17.1 1.0 O4 A:SIW301 4.7 13.5 1.0 O A:HOH510 4.8 34.9 1.0 NE2 A:HIS241 4.9 19.2 1.0 O9 A:SIW301 5.0 20.1 1.0

Tungsten binding site 10 out of 36 in the Crystal Structure of PIZZA6S in the Presence of Keggin (Sta)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) within 5.0Å range: probe atom residue distance (Å) B Occ A:W301 b:12.3 occ:0.97 W5E A:SIW301 0.0 12.3 1.0 O13E A:SIW301 1.7 24.4 1.0 O23E A:SIW301 1.8 15.1 1.0 O20 A:SIW301 1.9 21.8 1.0 O2E A:SIW301 1.9 21.0 1.0 O15E A:SIW301 1.9 17.8 1.0 O4 A:SIW301 2.6 13.5 1.0 W3E A:SIW301 3.5 13.3 1.0 W6 A:SIW301 3.6 13.1 1.0 W4E A:SIW301 3.6 11.1 1.0 W1 A:SIW301 3.6 12.0 1.0 O17E A:SIW301 3.6 18.9 1.0 SI1 A:SIW301 3.6 11.5 1.0 O18 A:SIW301 3.6 16.9 1.0 ND1 A:HIS157 4.0 16.3 1.0 CE1 A:HIS157 4.0 22.5 1.0 O1E A:SIW301 4.0 21.1 1.0 O19E A:SIW301 4.0 15.0 1.0 CB A:SER142 4.0 17.9 1.0 O17 A:SIW301 4.1 28.1 1.0 O9 A:SIW301 4.1 20.1 1.0 O22 A:SIW301 4.1 17.6 1.0 OG A:SER142 4.2 18.6 1.0 O3E A:SIW301 4.4 12.8 1.0 NE2 A:HIS157 4.4 21.1 1.0 CG A:HIS157 4.4 18.4 1.0 O5 A:SIW301 4.6 16.9 1.0 CB A:SER184 4.6 19.0 1.0 O11E A:SIW301 4.6 18.2 1.0 O12 A:SIW301 4.6 15.3 1.0 CD2 A:HIS157 4.6 17.0 1.0 O14E A:SIW301 4.6 20.9 1.0 CA A:SER184 4.8 10.6 1.0 NE2 A:HIS115 4.9 40.4 1.0 O9E A:SIW301 5.0 21.6 1.0 O A:HOH523 5.0 14.4 0.6 O A:PRO183 5.0 15.7 1.0

H.Noguchi, L.Vandebroek, K.Kamata, J.R.H.Tame, L.Van Meervelt, T.N.Parac-Vogt, A.R.D.Voet. Crystal Structure of PIZZA6S in the Presence of Keggin (Sta) To Be Published.