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Tungsten in PDB 4bvo: Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1

Enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1

All present enzymatic activity of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1:
3.6.1.5;

Protein crystallography data

The structure of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1, PDB code: 4bvo was solved by M.Zebisch, P.Schaefer, N.Straeter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 124.44 / 1.70
Space group P 63 2 2
Cell size a, b, c (Å), α, β, γ (°) 143.692, 143.692, 75.166, 90.00, 90.00, 120.00
R / Rfree (%) 14.907 / 19.757

Other elements in 4bvo:

The structure of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Tungsten Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Tungsten atom in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 (pdb code 4bvo). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 12 binding sites of Tungsten where determined in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1, PDB code: 4bvo:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 12 in 4bvo

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Tungsten binding site 1 out of 12 in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W1395

b:31.8
occ:0.70
 W1 A:E431395 0.0 31.8 0.7
O1 A:E431395 1.8 31.9 0.7
O29 A:E431395 1.9 34.7 0.7
O36 A:E431395 1.9 40.1 0.7
O17 A:E431395 1.9 40.3 0.7
O21 A:E431395 2.0 39.4 0.7
O40 A:E431395 2.2 29.6 0.7
W2 A:E431395 3.2 33.7 0.7
W3 A:E431395 3.3 36.5 0.7
O30 A:E431395 3.5 40.8 0.7
O34 A:E431395 3.7 43.9 0.7
W8 A:E431395 3.7 33.1 0.7
O32 A:E431395 3.7 38.6 0.7
O35 A:E431395 3.7 37.3 0.7
NE2 A:GLN89 3.8 56.5 1.0
W10 A:E431395 3.8 33.5 0.7
O22 A:E431395 3.8 37.9 0.7
O38 A:E431395 3.9 26.7 0.7
O39 A:E431395 4.0 27.6 0.7
O25 A:E431395 4.4 37.8 0.7
O2 A:E431395 4.5 40.2 0.7
O3 A:E431395 4.5 41.4 0.7
O26 A:E431395 4.7 41.0 0.7
O16 A:E431395 4.7 36.9 0.7
O10 A:E431395 4.8 44.5 0.7
O8 A:E431395 4.8 29.2 0.7
W9 A:E431395 4.8 33.1 0.7
O37 A:E431395 4.9 28.5 0.7
CD A:GLN89 5.0 51.0 1.0

Tungsten binding site 2 out of 12 in 4bvo

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Tungsten binding site 2 out of 12 in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W1395

b:33.7
occ:0.70
 W2 A:E431395 0.0 33.7 0.7
O2 A:E431395 1.8 40.2 0.7
O34 A:E431395 1.8 43.9 0.7
O26 A:E431395 1.9 41.0 0.7
O17 A:E431395 2.0 40.3 0.7
O30 A:E431395 2.0 40.8 0.7
O40 A:E431395 2.2 29.6 0.7
W1 A:E431395 3.2 31.8 0.7
W3 A:E431395 3.4 36.5 0.7
W9 A:E431395 3.6 33.1 0.7
O33 A:E431395 3.6 32.6 0.7
O36 A:E431395 3.6 40.1 0.7
W5 A:E431395 3.7 33.1 0.7
O21 A:E431395 3.7 39.4 0.7
O16 A:E431395 3.8 36.9 0.7
O37 A:E431395 3.9 28.5 0.7
O38 A:E431395 3.9 26.7 0.7
O22 A:E431395 4.0 37.9 0.7
NE2 A:GLN89 4.1 56.5 1.0
NZ A:LYS131 4.4 35.9 1.0
O24 A:E431395 4.5 42.7 0.7
O9 A:E431395 4.5 38.6 0.7
O1 A:E431395 4.5 31.9 0.7
O5 A:E431395 4.5 42.0 0.7
NE2 A:GLN128 4.6 33.8 1.0
O3 A:E431395 4.6 41.4 0.7
O29 A:E431395 4.7 34.7 0.7
O32 A:E431395 4.8 38.6 0.7
W8 A:E431395 4.9 33.1 0.7
W6 A:E431395 5.0 33.2 0.7
O39 A:E431395 5.0 27.6 0.7

Tungsten binding site 3 out of 12 in 4bvo

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Tungsten binding site 3 out of 12 in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W1395

b:36.5
occ:0.70
 W3 A:E431395 0.0 36.5 0.7
O3 A:E431395 1.8 41.4 0.7
O16 A:E431395 1.8 36.9 0.7
O32 A:E431395 1.9 38.6 0.7
O30 A:E431395 2.0 40.8 0.7
O36 A:E431395 2.2 40.1 0.7
O40 A:E431395 2.3 29.6 0.7
W1 A:E431395 3.3 31.8 0.7
W2 A:E431395 3.4 33.7 0.7
O27 A:E431395 3.6 35.1 0.7
W6 A:E431395 3.6 33.2 0.7
O29 A:E431395 3.6 34.7 0.7
W12 A:E431395 3.7 32.5 0.7
O26 A:E431395 3.7 41.0 0.7
O17 A:E431395 3.8 40.3 0.7
O39 A:E431395 3.8 27.6 0.7
O37 A:E431395 3.9 28.5 0.7
O25 A:E431395 4.4 37.8 0.7
O24 A:E431395 4.4 42.7 0.7
O12 A:E431395 4.7 39.5 0.7
O2 A:E431395 4.7 40.2 0.7
O6 A:E431395 4.7 28.0 0.7
O1 A:E431395 4.7 31.9 0.7
O34 A:E431395 4.7 43.9 0.7
O21 A:E431395 4.8 39.4 0.7
W5 A:E431395 4.9 33.1 0.7
O38 A:E431395 4.9 26.7 0.7
W10 A:E431395 4.9 33.5 0.7

Tungsten binding site 4 out of 12 in 4bvo

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Tungsten binding site 4 out of 12 in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W1395

b:31.1
occ:0.70
 W4 A:E431395 0.0 31.1 0.7
O4 A:E431395 1.8 40.4 0.7
O18 A:E431395 1.8 34.0 0.7
O20 A:E431395 1.9 37.0 0.7
O23 A:E431395 2.0 39.1 0.7
O28 A:E431395 2.0 33.0 0.7
O37 A:E431395 2.3 28.5 0.7
W5 A:E431395 3.3 33.1 0.7
W6 A:E431395 3.3 33.2 0.7
O24 A:E431395 3.5 42.7 0.7
W7 A:E431395 3.6 30.8 0.7
O19 A:E431395 3.6 36.3 0.7
W11 A:E431395 3.7 30.1 0.7
O27 A:E431395 3.7 35.1 0.7
O33 A:E431395 3.8 32.6 0.7
O38 A:E431395 3.9 26.7 0.7
O39 A:E431395 3.9 27.6 0.7
O13 A:E431395 4.2 30.8 0.7
O14 A:E431395 4.5 37.4 0.7
O7 A:E431395 4.5 35.2 0.7
O6 A:E431395 4.6 28.0 0.7
O11 A:E431395 4.6 33.0 0.7
O5 A:E431395 4.6 42.0 0.7
O26 A:E431395 4.7 41.0 0.7
O16 A:E431395 4.8 36.9 0.7
W12 A:E431395 4.9 32.5 0.7
W9 A:E431395 4.9 33.1 0.7

Tungsten binding site 5 out of 12 in 4bvo

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Tungsten binding site 5 out of 12 in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W1395

b:33.1
occ:0.70
 W5 A:E431395 0.0 33.1 0.7
O5 A:E431395 1.8 42.0 0.7
O26 A:E431395 1.9 41.0 0.7
O33 A:E431395 1.9 32.6 0.7
O24 A:E431395 2.0 42.7 0.7
O28 A:E431395 2.0 33.0 0.7
O37 A:E431395 2.3 28.5 0.7
W4 A:E431395 3.3 31.1 0.7
W6 A:E431395 3.3 33.2 0.7
O34 A:E431395 3.6 43.9 0.7
W2 A:E431395 3.7 33.7 0.7
O23 A:E431395 3.7 39.1 0.7
W9 A:E431395 3.7 33.1 0.7
O18 A:E431395 3.7 34.0 0.7
O16 A:E431395 3.8 36.9 0.7
O38 A:E431395 3.9 26.7 0.7
O40 A:E431395 3.9 29.6 0.7
NZ A:LYS131 4.1 35.9 1.0
O A:HOH2034 4.2 53.7 1.0
O13 A:E431395 4.2 30.8 0.7
O30 A:E431395 4.4 40.8 0.7
O4 A:E431395 4.6 40.4 0.7
CD A:LYS131 4.6 32.2 1.0
O6 A:E431395 4.6 28.0 0.7
O2 A:E431395 4.6 40.2 0.7
CE A:LYS131 4.7 38.0 1.0
O9 A:E431395 4.7 38.6 0.7
O20 A:E431395 4.7 37.0 0.7
O27 A:E431395 4.8 35.1 0.7
W7 A:E431395 4.9 30.8 0.7
W3 A:E431395 4.9 36.5 0.7
O39 A:E431395 5.0 27.6 0.7

Tungsten binding site 6 out of 12 in 4bvo

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Tungsten binding site 6 out of 12 in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W1395

b:33.2
occ:0.70
 W6 A:E431395 0.0 33.2 0.7
O6 A:E431395 1.8 28.0 0.7
O27 A:E431395 1.9 35.1 0.7
O16 A:E431395 1.9 36.9 0.7
O24 A:E431395 1.9 42.7 0.7
O23 A:E431395 1.9 39.1 0.7
O37 A:E431395 2.3 28.5 0.7
W5 A:E431395 3.3 33.1 0.7
W4 A:E431395 3.3 31.1 0.7
W3 A:E431395 3.6 36.5 0.7
O32 A:E431395 3.6 38.6 0.7
W12 A:E431395 3.7 32.5 0.7
O26 A:E431395 3.7 41.0 0.7
O20 A:E431395 3.8 37.0 0.7
O28 A:E431395 3.8 33.0 0.7
O39 A:E431395 3.8 27.6 0.7
O40 A:E431395 4.0 29.6 0.7
O30 A:E431395 4.4 40.8 0.7
O14 A:E431395 4.5 37.4 0.7
O3 A:E431395 4.5 41.4 0.7
O12 A:E431395 4.6 39.5 0.7
O4 A:E431395 4.6 40.4 0.7
O5 A:E431395 4.6 42.0 0.7
O18 A:E431395 4.7 34.0 0.7
O33 A:E431395 4.8 32.6 0.7
O38 A:E431395 4.9 26.7 0.7
W2 A:E431395 5.0 33.7 0.7
W11 A:E431395 5.0 30.1 0.7

Tungsten binding site 7 out of 12 in 4bvo

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Tungsten binding site 7 out of 12 in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W1395

b:30.8
occ:0.70
 W7 A:E431395 0.0 30.8 0.7
O7 A:E431395 1.7 35.2 0.7
O18 A:E431395 1.9 34.0 0.7
O19 A:E431395 1.9 36.3 0.7
O13 A:E431395 1.9 30.8 0.7
O15 A:E431395 1.9 34.8 0.7
O38 A:E431395 2.2 26.7 0.7
W9 A:E431395 3.3 33.1 0.7
W8 A:E431395 3.4 33.1 0.7
O20 A:E431395 3.5 37.0 0.7
W4 A:E431395 3.6 31.1 0.7
W11 A:E431395 3.6 30.1 0.7
O33 A:E431395 3.7 32.6 0.7
O35 A:E431395 3.8 37.3 0.7
O37 A:E431395 3.8 28.5 0.7
O22 A:E431395 3.9 37.9 0.7
O39 A:E431395 3.9 27.6 0.7
ND2 A:ASN91 4.2 32.7 1.0
O28 A:E431395 4.4 33.0 0.7
CB A:ASN91 4.5 32.4 1.0
O11 A:E431395 4.5 33.0 0.7
O8 A:E431395 4.5 29.2 0.7
O4 A:E431395 4.6 40.4 0.7
O9 A:E431395 4.6 38.6 0.7
O31 A:E431395 4.7 36.3 0.7
O34 A:E431395 4.7 43.9 0.7
O21 A:E431395 4.8 39.4 0.7
CG A:ASN91 4.8 36.8 1.0
W5 A:E431395 4.9 33.1 0.7
W10 A:E431395 4.9 33.5 0.7
O40 A:E431395 4.9 29.6 0.7

Tungsten binding site 8 out of 12 in 4bvo

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Tungsten binding site 8 out of 12 in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W1395

b:33.1
occ:0.70
 W8 A:E431395 0.0 33.1 0.7
O8 A:E431395 1.8 29.2 0.7
O22 A:E431395 1.8 37.9 0.7
O21 A:E431395 1.9 39.4 0.7
O35 A:E431395 1.9 37.3 0.7
O15 A:E431395 2.1 34.8 0.7
O38 A:E431395 2.3 26.7 0.7
W9 A:E431395 3.2 33.1 0.7
W7 A:E431395 3.4 30.8 0.7
O13 A:E431395 3.6 30.8 0.7
W1 A:E431395 3.7 31.8 0.7
W10 A:E431395 3.7 33.5 0.7
NE2 A:GLN89 3.7 56.5 1.0
O29 A:E431395 3.7 34.7 0.7
O19 A:E431395 3.7 36.3 0.7
O34 A:E431395 3.7 43.9 0.7
O40 A:E431395 3.9 29.6 0.7
O39 A:E431395 4.0 27.6 0.7
ND2 A:ASN91 4.1 32.7 1.0
O17 A:E431395 4.2 40.3 0.7
O1 A:E431395 4.4 31.9 0.7
O9 A:E431395 4.5 38.6 0.7
O7 A:E431395 4.6 35.2 0.7
CD A:GLN89 4.7 51.0 1.0
CG A:GLN89 4.7 42.4 1.0
O31 A:E431395 4.7 36.3 0.7
O10 A:E431395 4.7 44.5 0.7
O33 A:E431395 4.8 32.6 0.7
O18 A:E431395 4.8 34.0 0.7
CB A:GLN89 4.9 38.3 1.0
W2 A:E431395 4.9 33.7 0.7
W11 A:E431395 4.9 30.1 0.7
O37 A:E431395 4.9 28.5 0.7

Tungsten binding site 9 out of 12 in 4bvo

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Tungsten binding site 9 out of 12 in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W1395

b:33.1
occ:0.70
 W9 A:E431395 0.0 33.1 0.7
O9 A:E431395 1.7 38.6 0.7
O34 A:E431395 1.9 43.9 0.7
O33 A:E431395 1.9 32.6 0.7
O13 A:E431395 2.0 30.8 0.7
O22 A:E431395 2.0 37.9 0.7
O38 A:E431395 2.3 26.7 0.7
W8 A:E431395 3.2 33.1 0.7
W7 A:E431395 3.3 30.8 0.7
W2 A:E431395 3.6 33.7 0.7
O21 A:E431395 3.6 39.4 0.7
O26 A:E431395 3.6 41.0 0.7
W5 A:E431395 3.7 33.1 0.7
O15 A:E431395 3.8 34.8 0.7
O40 A:E431395 3.8 29.6 0.7
O18 A:E431395 3.8 34.0 0.7
O37 A:E431395 3.9 28.5 0.7
ND2 A:ASN91 3.9 32.7 1.0
NE2 A:GLN89 4.0 56.5 1.0
O17 A:E431395 4.1 40.3 0.7
CB A:ASN91 4.2 32.4 1.0
CD A:PRO90 4.5 29.9 1.0
O8 A:E431395 4.5 29.2 0.7
O28 A:E431395 4.5 33.0 0.7
O A:HOH2034 4.5 53.7 1.0
O2 A:E431395 4.6 40.2 0.7
O7 A:E431395 4.6 35.2 0.7
CG A:ASN91 4.6 36.8 1.0
O A:PRO90 4.6 36.0 1.0
C A:PRO90 4.6 33.5 1.0
CB A:GLN89 4.6 38.3 1.0
CG A:PRO90 4.7 32.4 1.0
O5 A:E431395 4.7 42.0 0.7
N A:PRO90 4.7 30.4 1.0
O35 A:E431395 4.7 37.3 0.7
O19 A:E431395 4.7 36.3 0.7
N A:ASN91 4.7 34.5 1.0
W1 A:E431395 4.8 31.8 0.7
W4 A:E431395 4.9 31.1 0.7
CA A:ASN91 5.0 31.2 1.0
O39 A:E431395 5.0 27.6 0.7
CD A:GLN89 5.0 51.0 1.0

Tungsten binding site 10 out of 12 in 4bvo

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Tungsten binding site 10 out of 12 in the Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Legionella Pneumophila NTPDASE1 Crystal Form VI (Part-Open) in Complex with Polytungstate Pom-1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W1395

b:33.5
occ:0.70
 W10 A:E431395 0.0 33.5 0.7
O10 A:E431395 1.8 44.5 0.7
O25 A:E431395 1.9 37.8 0.7
O35 A:E431395 1.9 37.3 0.7
O31 A:E431395 2.0 36.3 0.7
O29 A:E431395 2.1 34.7 0.7
O39 A:E431395 2.3 27.6 0.7
W11 A:E431395 3.2 30.1 0.7
W12 A:E431395 3.3 32.5 0.7
O14 A:E431395 3.5 37.4 0.7
O19 A:E431395 3.6 36.3 0.7
O32 A:E431395 3.7 38.6 0.7
W8 A:E431395 3.7 33.1 0.7
O21 A:E431395 3.8 39.4 0.7
W1 A:E431395 3.8 31.8 0.7
O38 A:E431395 3.9 26.7 0.7
O40 A:E431395 4.0 29.6 0.7
O15 A:E431395 4.1 34.8 0.7
O11 A:E431395 4.6 33.0 0.7
O12 A:E431395 4.6 39.5 0.7
O36 A:E431395 4.7 40.1 0.7
O20 A:E431395 4.7 37.0 0.7
O27 A:E431395 4.7 35.1 0.7
O1 A:E431395 4.7 31.9 0.7
O8 A:E431395 4.8 29.2 0.7
W7 A:E431395 4.9 30.8 0.7
W3 A:E431395 4.9 36.5 0.7
O37 A:E431395 5.0 28.5 0.7

Reference:

M.Zebisch, M.Krauss, P.Schafer, N.Strater. Structures of Legionella Pneumophila NTPDASE1 in Complex with Polyoxometallates. Acta Crystallogr.,Sect.D V. 70 1147 2014.
ISSN: ISSN 0907-4449
PubMed: 24699658
DOI: 10.1107/S1399004714001916
Page generated: Sat Oct 12 04:09:59 2024

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