Tungsten in PDB 7ax2: Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B

The structure of Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B, PDB code: 7ax2 was solved by B.Mylemans, L.Vandebroek, 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)	47.21 / 2.10
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	133.517, 133.517, 70.093, 90, 90, 90
R / Rfree (%)	17.8 / 20.6

The structure of Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B also contains other interesting chemical elements:

Silicon	(Si)	2 atoms
Sodium	(Na)	1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 23;

Binding sites:

The binding sites of Tungsten atom in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B (pdb code 7ax2). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 23 binding sites of Tungsten where determined in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B, PDB code: 7ax2:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 23 in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B


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 the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:22.3 occ:1.00 W1 A:SIW401 0.0 22.3 1.0 O12 A:SIW401 1.6 22.3 1.0 O18 A:SIW401 1.9 22.3 1.0 O20 A:SIW401 2.0 22.3 1.0 O8 A:SIW401 2.0 22.3 1.0 O9 A:SIW401 2.0 22.3 1.0 O4 A:SIW401 2.3 22.3 1.0 W5E A:SIW401 3.4 22.3 1.0 W4E A:SIW401 3.4 22.3 1.0 SI1 A:SIW401 3.5 22.3 1.0 O2E A:SIW401 3.6 22.3 1.0 W2 A:SIW401 3.7 22.3 1.0 W3 A:SIW401 3.7 22.3 1.0 O1 A:SIW401 3.8 22.3 1.0 O23E A:SIW401 3.8 22.3 1.0 O16E A:SIW401 3.9 22.3 1.0 O21 A:SIW401 3.9 22.3 1.0 O22 A:SIW401 4.0 22.3 1.0 O17 A:SIW401 4.3 22.3 1.0 O7 A:SIW401 4.3 22.3 1.0 N A:ALA21 4.4 23.1 1.0 CB A:ALA21 4.5 20.2 1.0 O13E A:SIW401 4.6 22.3 1.0 O14E A:SIW401 4.6 22.3 1.0 O11 A:SIW401 4.6 22.3 1.0 CB A:ARG59 4.7 22.4 1.0 O10 A:SIW401 4.7 22.3 1.0 O19E A:SIW401 4.9 22.3 1.0 O15E A:SIW401 5.0 22.3 1.0

Tungsten binding site 2 out of 23 in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B


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 the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:22.3 occ:1.00 W1E A:SIW401 0.0 22.3 1.0 O12E A:SIW401 1.6 22.3 1.0 O8E A:SIW401 1.9 22.3 1.0 O9E A:SIW401 1.9 22.3 1.0 O18E A:SIW401 2.0 22.3 1.0 O20E A:SIW401 2.0 22.3 1.0 O19E A:SIW401 2.4 22.3 1.0 W3E A:SIW401 3.4 22.3 1.0 W2E A:SIW401 3.4 22.3 1.0 SI1 A:SIW401 3.5 22.3 1.0 O1E A:SIW401 3.6 22.3 1.0 W4 A:SIW401 3.7 22.3 1.0 W5 A:SIW401 3.7 22.3 1.0 O2 A:SIW401 3.7 22.3 1.0 OG A:SER217 3.8 29.8 1.0 O7E A:SIW401 3.9 22.3 1.0 O22 A:SIW401 3.9 22.3 1.0 O17E A:SIW401 3.9 22.3 1.0 O21 A:SIW401 3.9 22.3 1.0 CB A:SER138 4.1 24.9 1.0 O23 A:SIW401 4.2 22.3 1.0 O16 A:SIW401 4.3 22.3 1.0 CB A:ARG177 4.4 19.4 1.0 CA A:SER138 4.4 27.1 1.0 N A:ALA139 4.5 19.4 1.0 N A:ARG177 4.5 22.1 1.0 O11E A:SIW401 4.6 22.3 1.0 O A:VAL175 4.6 33.6 1.0 O10E A:SIW401 4.6 22.3 1.0 O13 A:SIW401 4.7 22.3 1.0 O14 A:SIW401 4.7 22.3 1.0 CA A:THR176 4.7 22.4 1.0 C A:THR176 4.8 19.1 1.0 O4 A:SIW401 4.9 22.3 1.0 O A:HOH540 4.9 28.1 1.0 W6 A:SIW401 5.0 22.3 1.0

Tungsten binding site 3 out of 23 in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B


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 the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:22.3 occ:1.00 W2 A:SIW401 0.0 22.3 1.0 O10 A:SIW401 1.7 22.3 1.0 O7 A:SIW401 1.8 22.3 1.0 O8 A:SIW401 1.9 22.3 1.0 O3 A:SIW401 1.9 22.3 1.0 O1 A:SIW401 2.0 22.3 1.0 O21 A:SIW401 2.3 22.3 1.0 W4 A:SIW401 3.4 22.3 1.0 W7 A:SIW401 3.4 22.3 1.0 O16 A:SIW401 3.5 22.3 1.0 SI1 A:SIW401 3.5 22.3 1.0 W3 A:SIW401 3.6 22.3 1.0 O9 A:SIW401 3.6 22.3 1.0 W1 A:SIW401 3.7 22.3 1.0 O4 A:SIW401 3.8 22.3 1.0 O16E A:SIW401 3.8 22.3 1.0 O22 A:SIW401 3.8 22.3 1.0 O2 A:SIW401 3.8 22.3 1.0 CB A:SER256 4.1 27.1 1.0 O18 A:SIW401 4.2 22.3 1.0 CB A:ARG295 4.2 21.0 1.0 O15 A:SIW401 4.4 22.3 1.0 N A:ARG295 4.5 20.4 1.0 O14 A:SIW401 4.5 22.3 1.0 CA A:SER256 4.6 26.6 1.0 O11 A:SIW401 4.6 22.3 1.0 O12 A:SIW401 4.6 22.3 1.0 O6 A:SIW401 4.6 22.3 1.0 N A:ALA257 4.7 23.1 1.0 O19E A:SIW401 4.8 22.3 1.0 O18E A:SIW401 4.8 22.3 1.0 W5 A:SIW401 4.9 22.3 1.0 CA A:ARG295 5.0 18.2 1.0

Tungsten binding site 4 out of 23 in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B


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 the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:22.3 occ:1.00 W2E A:SIW401 0.0 22.3 1.0 O10E A:SIW401 1.7 22.3 1.0 O8E A:SIW401 1.9 22.3 1.0 O7E A:SIW401 1.9 22.3 1.0 O1E A:SIW401 2.0 22.3 1.0 O3E A:SIW401 2.0 22.3 1.0 O19E A:SIW401 2.5 22.3 1.0 W3E A:SIW401 3.4 22.3 1.0 W1E A:SIW401 3.4 22.3 1.0 SI1 A:SIW401 3.5 22.3 1.0 O9E A:SIW401 3.5 22.3 1.0 W4E A:SIW401 3.7 22.3 1.0 W7 A:SIW401 3.7 22.3 1.0 O16E A:SIW401 3.7 22.3 1.0 O18E A:SIW401 3.9 22.3 1.0 O4 A:SIW401 4.0 22.3 1.0 O21 A:SIW401 4.0 22.3 1.0 O A:THR137 4.0 28.7 1.0 O15E A:SIW401 4.0 22.3 1.0 O A:HOH540 4.1 28.1 1.0 O16 A:SIW401 4.2 22.3 1.0 O2E A:SIW401 4.3 22.3 1.0 O11E A:SIW401 4.5 22.3 1.0 O12E A:SIW401 4.5 22.3 1.0 O14E A:SIW401 4.6 22.3 1.0 O6 A:SIW401 4.7 22.3 1.0 O22 A:SIW401 5.0 22.3 1.0 O20E A:SIW401 5.0 22.3 1.0 O17E A:SIW401 5.0 22.3 1.0

Tungsten binding site 5 out of 23 in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B


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 the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:22.3 occ:1.00 W3 A:SIW401 0.0 22.3 1.0 O11 A:SIW401 1.7 22.3 1.0 O9 A:SIW401 1.9 22.3 1.0 O1 A:SIW401 1.9 22.3 1.0 O17 A:SIW401 2.0 22.3 1.0 O15 A:SIW401 2.1 22.3 1.0 O22 A:SIW401 2.4 22.3 1.0 W5 A:SIW401 3.4 22.3 1.0 W6 A:SIW401 3.4 22.3 1.0 SI1 A:SIW401 3.6 22.3 1.0 O23 A:SIW401 3.6 22.3 1.0 W2 A:SIW401 3.6 22.3 1.0 W1 A:SIW401 3.7 22.3 1.0 O8 A:SIW401 3.7 22.3 1.0 O4 A:SIW401 3.8 22.3 1.0 O2 A:SIW401 3.8 22.3 1.0 O21 A:SIW401 3.9 22.3 1.0 CD A:ARG59 3.9 27.6 1.0 O23E A:SIW401 3.9 22.3 1.0 CD A:ARG295 4.0 15.0 1.0 O20 A:SIW401 4.2 22.3 1.0 O3 A:SIW401 4.3 22.3 1.0 CB A:ARG295 4.4 21.0 1.0 NE A:ARG59 4.4 30.6 1.0 O5 A:SIW401 4.5 22.3 1.0 NH1 A:ARG295 4.5 18.2 1.0 O13 A:SIW401 4.5 22.3 1.0 O12 A:SIW401 4.6 22.3 1.0 CB A:ALA21 4.6 20.2 1.0 O10 A:SIW401 4.7 22.3 1.0 O A:HOH573 4.8 24.3 1.0 O19E A:SIW401 4.8 22.3 1.0 CG A:ARG295 4.8 16.4 1.0 O17E A:SIW401 4.9 22.3 1.0 O20E A:SIW401 4.9 22.3 1.0 W4 A:SIW401 5.0 22.3 1.0 W5E A:SIW401 5.0 22.3 1.0

Tungsten binding site 6 out of 23 in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B


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 the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:22.3 occ:1.00 W3E A:SIW401 0.0 22.3 1.0 O11E A:SIW401 1.7 22.3 1.0 O9E A:SIW401 1.8 22.3 1.0 O1E A:SIW401 1.8 22.3 1.0 O17E A:SIW401 2.0 22.3 1.0 O15E A:SIW401 2.1 22.3 1.0 O19E A:SIW401 2.5 22.3 1.0 W2E A:SIW401 3.4 22.3 1.0 W1E A:SIW401 3.4 22.3 1.0 SI1 A:SIW401 3.5 22.3 1.0 O8E A:SIW401 3.6 22.3 1.0 W6 A:SIW401 3.7 22.3 1.0 W5E A:SIW401 3.7 22.3 1.0 O23E A:SIW401 3.7 22.3 1.0 O20E A:SIW401 3.9 22.3 1.0 N A:ALA139 3.9 19.4 1.0 O4 A:SIW401 3.9 22.3 1.0 O22 A:SIW401 4.0 22.3 1.0 O3E A:SIW401 4.0 22.3 1.0 CB A:ALA139 4.1 16.2 1.0 OG A:SER99 4.1 32.7 1.0 O2E A:SIW401 4.2 22.3 1.0 N A:SER99 4.2 26.9 1.0 O23 A:SIW401 4.3 22.3 1.0 CA A:SER138 4.4 27.1 1.0 CB A:SER99 4.5 24.9 1.0 O12E A:SIW401 4.5 22.3 1.0 CA A:ALA139 4.5 22.5 1.0 C A:SER138 4.5 19.6 1.0 O A:THR137 4.5 28.7 1.0 O13E A:SIW401 4.6 22.3 1.0 O5 A:SIW401 4.6 22.3 1.0 O10E A:SIW401 4.7 22.3 1.0 O7E A:SIW401 4.9 22.3 1.0 O18E A:SIW401 4.9 22.3 1.0 W4E A:SIW401 5.0 22.3 1.0 O21 A:SIW401 5.0 22.3 1.0 W5 A:SIW401 5.0 22.3 1.0

Tungsten binding site 7 out of 23 in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B


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 the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:22.3 occ:1.00 W4 A:SIW401 0.0 22.3 1.0 O14 A:SIW401 1.7 22.3 1.0 O18E A:SIW401 1.8 22.3 1.0 O16 A:SIW401 1.9 22.3 1.0 O2 A:SIW401 2.0 22.3 1.0 O3 A:SIW401 2.1 22.3 1.0 O21 A:SIW401 2.3 22.3 1.0 W2 A:SIW401 3.4 22.3 1.0 W7 A:SIW401 3.4 22.3 1.0 SI1 A:SIW401 3.6 22.3 1.0 O7 A:SIW401 3.6 22.3 1.0 W5 A:SIW401 3.6 22.3 1.0 W1E A:SIW401 3.7 22.3 1.0 O20E A:SIW401 3.8 22.3 1.0 O19E A:SIW401 3.8 22.3 1.0 O22 A:SIW401 3.8 22.3 1.0 O1 A:SIW401 3.8 22.3 1.0 OG A:SER217 3.8 29.8 1.0 N A:ALA257 4.0 23.1 1.0 O7E A:SIW401 4.0 22.3 1.0 O8E A:SIW401 4.2 22.3 1.0 O15 A:SIW401 4.3 22.3 1.0 CA A:SER256 4.3 26.6 1.0 CB A:ALA257 4.4 16.9 1.0 C A:SER256 4.5 26.6 1.0 N A:SER217 4.6 20.8 1.0 O10 A:SIW401 4.6 22.3 1.0 O12E A:SIW401 4.6 22.3 1.0 O6 A:SIW401 4.6 22.3 1.0 O A:THR255 4.7 34.6 1.0 CB A:SER217 4.7 18.5 1.0 O13 A:SIW401 4.7 22.3 1.0 CA A:ALA257 4.8 21.2 1.0 O4 A:SIW401 4.8 22.3 1.0 O16E A:SIW401 4.8 22.3 1.0 O8 A:SIW401 4.9 22.3 1.0 O A:GLU215 5.0 27.5 1.0 W3 A:SIW401 5.0 22.3 1.0 CB A:SER256 5.0 27.1 1.0

Tungsten binding site 8 out of 23 in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B


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 the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:22.3 occ:1.00 W4E A:SIW401 0.0 22.3 1.0 O14E A:SIW401 1.7 22.3 1.0 O18 A:SIW401 1.8 22.3 1.0 O2E A:SIW401 2.0 22.3 1.0 O16E A:SIW401 2.0 22.3 1.0 O3E A:SIW401 2.1 22.3 1.0 O4 A:SIW401 2.5 22.3 1.0 W5E A:SIW401 3.4 22.3 1.0 W1 A:SIW401 3.4 22.3 1.0 SI1 A:SIW401 3.5 22.3 1.0 W2E A:SIW401 3.7 22.3 1.0 W7 A:SIW401 3.7 22.3 1.0 O20 A:SIW401 3.7 22.3 1.0 O7E A:SIW401 3.8 22.3 1.0 O8 A:SIW401 3.9 22.3 1.0 O19E A:SIW401 3.9 22.3 1.0 O15E A:SIW401 3.9 22.3 1.0 O21 A:SIW401 4.0 22.3 1.0 O1E A:SIW401 4.3 22.3 1.0 O7 A:SIW401 4.4 22.3 1.0 O12 A:SIW401 4.6 22.3 1.0 O10E A:SIW401 4.6 22.3 1.0 O6 A:SIW401 4.6 22.3 1.0 O13E A:SIW401 4.7 22.3 1.0 O23E A:SIW401 4.9 22.3 1.0 O9 A:SIW401 5.0 22.3 1.0 W3E A:SIW401 5.0 22.3 1.0

Tungsten binding site 9 out of 23 in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B


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 the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:22.3 occ:1.00 W5 A:SIW401 0.0 22.3 1.0 O13 A:SIW401 1.7 22.3 1.0 O23 A:SIW401 1.8 22.3 1.0 O2 A:SIW401 1.9 22.3 1.0 O15 A:SIW401 1.9 22.3 1.0 O20E A:SIW401 1.9 22.3 1.0 O22 A:SIW401 2.3 22.3 1.0 W3 A:SIW401 3.4 22.3 1.0 W6 A:SIW401 3.4 22.3 1.0 O17 A:SIW401 3.5 22.3 1.0 SI1 A:SIW401 3.6 22.3 1.0 NH1 A:ARG295 3.6 18.2 1.0 W4 A:SIW401 3.6 22.3 1.0 O18E A:SIW401 3.7 22.3 1.0 W1E A:SIW401 3.7 22.3 1.0 O1 A:SIW401 3.8 22.3 1.0 O19E A:SIW401 3.8 22.3 1.0 O21 A:SIW401 3.9 22.3 1.0 O17E A:SIW401 3.9 22.3 1.0 OG A:SER217 4.2 29.8 1.0 O9E A:SIW401 4.2 22.3 1.0 CD A:ARG177 4.2 21.5 1.0 O3 A:SIW401 4.4 22.3 1.0 O5 A:SIW401 4.5 22.3 1.0 O11 A:SIW401 4.5 22.3 1.0 O12E A:SIW401 4.6 22.3 1.0 NH1 A:ARG177 4.6 18.6 1.0 O14 A:SIW401 4.6 22.3 1.0 CB A:ARG177 4.7 19.4 1.0 CB A:SER217 4.7 18.5 1.0 O4 A:SIW401 4.8 22.3 1.0 O9 A:SIW401 4.8 22.3 1.0 CZ A:ARG295 4.8 21.4 1.0 CB A:ALA257 4.9 16.9 1.0 W2 A:SIW401 4.9 22.3 1.0 W3E A:SIW401 5.0 22.3 1.0

Tungsten binding site 10 out of 23 in the Crystal Structure of the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B


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 the Computationally Designed Scone-E Protein Co- Crystallized with Sta, Form B within 5.0Å range: probe atom residue distance (Å) B Occ A:W401 b:22.3 occ:1.00 W5E A:SIW401 0.0 22.3 1.0 O13E A:SIW401 1.7 22.3 1.0 O20 A:SIW401 1.8 22.3 1.0 O2E A:SIW401 1.8 22.3 1.0 O23E A:SIW401 1.8 22.3 1.0 O15E A:SIW401 1.9 22.3 1.0 O4 A:SIW401 2.4 22.3 1.0 W1 A:SIW401 3.4 22.3 1.0 W4E A:SIW401 3.4 22.3 1.0 O18 A:SIW401 3.5 22.3 1.0 SI1 A:SIW401 3.5 22.3 1.0 W3E A:SIW401 3.7 22.3 1.0 O17E A:SIW401 3.7 22.3 1.0 W6 A:SIW401 3.7 22.3 1.0 O9 A:SIW401 3.8 22.3 1.0 O19E A:SIW401 4.0 22.3 1.0 O22 A:SIW401 4.0 22.3 1.0 CB A:SER99 4.1 24.9 1.0 O3E A:SIW401 4.1 22.3 1.0 N A:ARG59 4.2 23.3 1.0 O17 A:SIW401 4.2 22.3 1.0 O1E A:SIW401 4.3 22.3 1.0 OG A:SER99 4.3 32.7 1.0 CB A:ARG59 4.4 22.4 1.0 O12 A:SIW401 4.5 22.3 1.0 O14E A:SIW401 4.6 22.3 1.0 O11E A:SIW401 4.6 22.3 1.0 O5 A:SIW401 4.7 22.3 1.0 CA A:THR58 4.8 27.9 1.0 O8 A:SIW401 4.9 22.3 1.0 CA A:ARG59 4.9 23.6 1.0 O16E A:SIW401 4.9 22.3 1.0 O21 A:SIW401 5.0 22.3 1.0 C A:THR58 5.0 26.0 1.0 W3 A:SIW401 5.0 22.3 1.0

B.Mylemans, L.Vandebroek, T.N.Parac-Vogt, A.R.D.Voet. Crystal Structure of the Computationally Designed Scone-E Protein Co-Crystallized with Sta, Form B To Be Published.