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Tungsten in PDB 6n90: Yoeb/Pare Toxin From Agrobacterium Tumefaciens

Protein crystallography data

The structure of Yoeb/Pare Toxin From Agrobacterium Tumefaciens, PDB code: 6n90 was solved by C.R.Bourne, E.R.Reddem, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.87 / 1.76
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 30.955, 77.739, 36.350, 90.00, 92.91, 90.00
R / Rfree (%) 21.8 / 24.6

Other elements in 6n90:

The structure of Yoeb/Pare Toxin From Agrobacterium Tumefaciens also contains other interesting chemical elements:

Tellurium (Te) 1 atom

Tungsten Binding Sites:

The binding sites of Tungsten atom in the Yoeb/Pare Toxin From Agrobacterium Tumefaciens (pdb code 6n90). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 6 binding sites of Tungsten where determined in the Yoeb/Pare Toxin From Agrobacterium Tumefaciens, PDB code: 6n90:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6;

Tungsten binding site 1 out of 6 in 6n90

Go back to Tungsten Binding Sites List in 6n90
Tungsten binding site 1 out of 6 in the Yoeb/Pare Toxin From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Yoeb/Pare Toxin From Agrobacterium Tumefaciens within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W101

b:27.2
occ:0.60
 W1 B:TEW101 0.0 27.2 0.6
O6 B:TEW101 1.7 29.1 0.6
O5 B:TEW101 1.7 31.3 0.6
O3 B:TEW101 1.9 27.4 0.6
O4 B:TEW101 1.9 28.4 0.6
O1 B:TEW101 2.0 31.9 0.6
O2 B:TEW101 2.3 30.2 0.6
W2 B:TEW101 3.1 27.3 0.6
TE1 B:TEW101 3.2 29.5 0.6
W3 B:TEW101 3.3 31.0 0.6
O8 B:TEW101 3.4 29.7 0.6
O B:HOH206 3.6 28.1 1.0
O13 B:TEW101 3.7 30.4 0.6
O7 B:TEW101 3.7 25.0 0.6
O15 B:TEW101 3.8 32.2 0.6
N B:GLY72 4.2 36.5 1.0
O B:GLY72 4.2 40.7 1.0
O B:HOH228 4.4 28.1 1.0
O9 B:TEW101 4.4 21.2 0.6
O10 B:TEW101 4.5 29.9 0.6
O16 B:TEW101 4.5 31.5 0.6
CA B:GLY72 4.7 38.2 1.0
O14 B:TEW101 4.7 29.7 0.6
C B:GLY72 4.7 42.4 1.0
O12 B:TEW101 4.8 30.6 0.6
O11 B:TEW101 4.8 30.7 0.6

Tungsten binding site 2 out of 6 in 6n90

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Tungsten binding site 2 out of 6 in the Yoeb/Pare Toxin From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Yoeb/Pare Toxin From Agrobacterium Tumefaciens within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W101

b:27.3
occ:0.60
 W2 B:TEW101 0.0 27.3 0.6
O9 B:TEW101 1.7 21.2 0.6
O8 B:TEW101 1.7 29.7 0.6
O3 B:TEW101 1.9 27.4 0.6
O10 B:TEW101 1.9 29.9 0.6
O1 B:TEW101 2.0 31.9 0.6
O7 B:TEW101 2.2 25.0 0.6
W1 B:TEW101 3.1 27.2 0.6
TE1 B:TEW101 3.2 29.5 0.6
W4 B:TEW101 3.2 28.6 0.6
O6 B:TEW101 3.4 29.1 0.6
O19 B:TEW101 3.7 24.3 0.6
O12 B:TEW101 3.7 30.6 0.6
O2 B:TEW101 3.8 30.2 0.6
O B:HOH217 4.2 28.1 1.0
O5 B:TEW101 4.4 31.3 0.6
CA B:GLY72 4.5 38.2 1.0
C B:GLY72 4.5 42.4 1.0
O18 B:TEW101 4.6 31.2 0.6
O4 B:TEW101 4.6 28.4 0.6
CB B:SER73 4.6 30.0 1.0
O B:GLY72 4.6 40.7 1.0
O17 B:TEW101 4.7 28.9 0.6
O13 B:TEW101 4.7 30.4 0.6
N B:GLY72 4.7 36.5 1.0
O11 B:TEW101 4.8 30.7 0.6
O B:HOH253 5.0 28.1 1.0

Tungsten binding site 3 out of 6 in 6n90

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Tungsten binding site 3 out of 6 in the Yoeb/Pare Toxin From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Yoeb/Pare Toxin From Agrobacterium Tumefaciens within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W101

b:31.0
occ:0.60
 W3 B:TEW101 0.0 31.0 0.6
O15 B:TEW101 1.7 32.2 0.6
O16 B:TEW101 1.7 31.5 0.6
O14 B:TEW101 1.9 29.7 0.6
O4 B:TEW101 2.0 28.4 0.6
O2 B:TEW101 2.3 30.2 0.6
O13 B:TEW101 2.3 30.4 0.6
W6 B:TEW101 3.3 32.7 0.6
TE1 B:TEW101 3.3 29.5 0.6
W1 B:TEW101 3.3 27.2 0.6
O31 B:TEW101 3.7 29.7 0.6
O5 B:TEW101 3.7 31.3 0.6
O1 B:TEW101 3.8 31.9 0.6
O11 B:TEW101 3.8 30.7 0.6
O B:HOH206 3.8 28.1 1.0
CB B:SER71 4.1 37.2 1.0
O23 B:TEW101 4.5 32.8 0.6
O6 B:TEW101 4.6 29.1 0.6
CA B:SER71 4.6 36.1 1.0
O3 B:TEW101 4.7 27.4 0.6
O B:HOH228 4.7 28.1 1.0
O20 B:TEW101 4.7 32.6 0.6
O12 B:TEW101 4.9 30.6 0.6
O7 B:TEW101 4.9 25.0 0.6
N B:GLY72 5.0 36.5 1.0

Tungsten binding site 4 out of 6 in 6n90

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Tungsten binding site 4 out of 6 in the Yoeb/Pare Toxin From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Yoeb/Pare Toxin From Agrobacterium Tumefaciens within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W101

b:28.6
occ:0.60
 W4 B:TEW101 0.0 28.6 0.6
O18 B:TEW101 1.7 31.2 0.6
O19 B:TEW101 1.7 24.3 0.6
O10 B:TEW101 1.9 29.9 0.6
O17 B:TEW101 2.0 28.9 0.6
O12 B:TEW101 2.3 30.6 0.6
O7 B:TEW101 2.3 25.0 0.6
W2 B:TEW101 3.2 27.3 0.6
TE1 B:TEW101 3.3 29.5 0.6
W5 B:TEW101 3.3 31.3 0.6
O9 B:TEW101 3.6 21.2 0.6
O21 B:TEW101 3.7 30.4 0.6
O1 B:TEW101 3.8 31.9 0.6
O11 B:TEW101 3.8 30.7 0.6
O B:HOH205 4.1 28.2 1.0
O B:HOH210 4.2 28.1 1.0
O8 B:TEW101 4.5 29.7 0.6
O22 B:TEW101 4.6 33.0 0.6
NH2 B:ARG78 4.7 50.6 1.0
O3 B:TEW101 4.7 27.4 0.6
O20 B:TEW101 4.7 32.6 0.6
NH1 B:ARG78 4.8 44.4 1.0
O13 B:TEW101 4.8 30.4 0.6
O2 B:TEW101 4.9 30.2 0.6

Tungsten binding site 5 out of 6 in 6n90

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Tungsten binding site 5 out of 6 in the Yoeb/Pare Toxin From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Yoeb/Pare Toxin From Agrobacterium Tumefaciens within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W101

b:31.3
occ:0.60
 W5 B:TEW101 0.0 31.3 0.6
O22 B:TEW101 1.7 33.0 0.6
O21 B:TEW101 1.7 30.4 0.6
O17 B:TEW101 1.9 28.9 0.6
O20 B:TEW101 1.9 32.6 0.6
O11 B:TEW101 2.2 30.7 0.6
O12 B:TEW101 2.3 30.6 0.6
O B:HOH205 3.0 28.2 1.0
TE1 B:TEW101 3.3 29.5 0.6
W6 B:TEW101 3.3 32.7 0.6
W4 B:TEW101 3.3 28.6 0.6
O23 B:TEW101 3.7 32.8 0.6
O18 B:TEW101 3.7 31.2 0.6
O13 B:TEW101 3.8 30.4 0.6
O7 B:TEW101 3.8 25.0 0.6
NH1 B:ARG78 3.9 44.4 1.0
O19 B:TEW101 4.6 24.3 0.6
O31 B:TEW101 4.6 29.7 0.6
O10 B:TEW101 4.7 29.9 0.6
O14 B:TEW101 4.7 29.7 0.6
CZ B:ARG78 4.9 45.5 1.0
O2 B:TEW101 4.9 30.2 0.6
O1 B:TEW101 4.9 31.9 0.6

Tungsten binding site 6 out of 6 in 6n90

Go back to Tungsten Binding Sites List in 6n90
Tungsten binding site 6 out of 6 in the Yoeb/Pare Toxin From Agrobacterium Tumefaciens


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Yoeb/Pare Toxin From Agrobacterium Tumefaciens within 5.0Å range:
probe atom residue distance (Å) B Occ
B:W101

b:32.7
occ:0.60
 W6 B:TEW101 0.0 32.7 0.6
O31 B:TEW101 1.7 29.7 0.6
O23 B:TEW101 1.7 32.8 0.6
O14 B:TEW101 1.9 29.7 0.6
O20 B:TEW101 1.9 32.6 0.6
O13 B:TEW101 2.2 30.4 0.6
O11 B:TEW101 2.3 30.7 0.6
W3 B:TEW101 3.3 31.0 0.6
TE1 B:TEW101 3.3 29.5 0.6
W5 B:TEW101 3.3 31.3 0.6
O16 B:TEW101 3.6 31.5 0.6
O22 B:TEW101 3.7 33.0 0.6
O12 B:TEW101 3.8 30.6 0.6
O2 B:TEW101 3.8 30.2 0.6
O B:HOH246 3.9 28.1 1.0
O B:HOH252 4.2 28.1 1.0
NH1 B:ARG78 4.5 44.4 1.0
O21 B:TEW101 4.5 30.4 0.6
O15 B:TEW101 4.6 32.2 0.6
CB B:SER71 4.6 37.2 1.0
O4 B:TEW101 4.6 28.4 0.6
O17 B:TEW101 4.8 28.9 0.6
O1 B:TEW101 4.9 31.9 0.6
O7 B:TEW101 4.9 25.0 0.6

Reference:

J.Mcgillick, J.R.Ames, T.Murphy, E.Reddem, C.R.Bourne. Yoeb/Pare Toxin From Agrobacterium Tumefaciens Biorxiv 2019.
DOI: 10.1101/795211
Page generated: Sat Oct 12 06:07:59 2024

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