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Tungsten in PDB 6hyb: Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)

Enzymatic activity of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)

All present enzymatic activity of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl):
3.2.1.17;

Protein crystallography data

The structure of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl), PDB code: 6hyb was solved by L.Vandebroek, L.Van Meervelt, T.N.Parac-Vogt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.16 / 1.96
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.610, 78.610, 37.110, 90.00, 90.00, 90.00
R / Rfree (%) 17.1 / 20.5

Other elements in 6hyb:

The structure of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) also contains other interesting chemical elements:

Potassium (K) 1 atom
Zirconium (Zr) 1 atom

Tungsten Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Tungsten atom in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) (pdb code 6hyb). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 17 binding sites of Tungsten where determined in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl), PDB code: 6hyb:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 17 in 6hyb

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Tungsten binding site 1 out of 17 in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 1 of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W201

b:35.4
occ:0.30
 W1 A:ZRW201 0.0 35.4 0.3
O1 A:ZRW201 1.7 35.4 0.3
O1L A:ZRW201 1.8 38.1 0.3
O7 A:ZRW201 1.9 39.1 0.3
O2 A:ZRW201 1.9 35.2 0.3
O4 A:ZRW201 2.0 40.1 0.3
O8 A:ZRW201 2.3 40.8 0.3
W2 A:ZRW201 3.3 35.7 0.3
P1 A:ZRW201 3.4 35.0 0.3
O2L A:ZRW201 3.5 38.3 0.3
W8 A:ZRW201 3.7 36.9 0.3
O A:HOH308 3.8 46.1 1.0
O23 A:ZRW201 3.8 39.6 0.3
W3 A:ZRW201 3.8 31.2 0.3
O9 A:ZRW201 3.8 35.4 0.3
ZR1 A:ZRW201 3.8 37.6 0.3
O4L A:ZRW201 3.8 37.1 0.3
O5 A:ZRW201 3.9 41.0 0.3
O21 A:ZRW201 3.9 38.5 0.3
O19 A:ZRW201 4.4 42.3 0.3
O20 A:ZRW201 4.5 42.2 0.3
O11 A:ZRW201 4.6 43.3 0.3
O3 A:ZRW201 4.6 39.2 0.3
O10 A:ZRW201 4.7 42.9 0.3
O3L A:ZRW201 4.7 41.5 0.3
O22 A:ZRW201 4.7 39.6 0.3
O6 A:ZRW201 4.7 40.0 0.3
W7 A:ZRW201 4.9 37.1 0.3

Tungsten binding site 2 out of 17 in 6hyb

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Tungsten binding site 2 out of 17 in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 2 of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W201

b:35.6
occ:0.30
 W10 A:ZRW201 0.0 35.6 0.3
O33 A:ZRW201 1.7 36.8 0.3
O25 A:ZRW201 1.9 39.1 0.3
O34 A:ZRW201 1.9 41.6 0.3
O32 A:ZRW201 1.9 41.0 0.3
O47 A:ZRW201 2.0 38.0 0.3
O42 A:ZRW201 2.3 37.3 0.3
W9 A:ZRW201 3.4 36.2 0.3
P2 A:ZRW201 3.5 42.2 0.3
O24 A:ZRW201 3.6 38.1 0.3
O48 A:ZRW201 3.6 44.5 0.3
W11 A:ZRW201 3.7 38.9 0.3
W16 A:ZRW201 3.7 40.1 0.3
W4 A:ZRW201 3.8 33.0 0.3
O46 A:ZRW201 3.8 44.0 0.3
O13 A:ZRW201 3.8 42.8 0.3
O43 A:ZRW201 3.9 39.6 0.3
O45 A:ZRW201 3.9 45.3 0.3
O21 A:ZRW201 4.0 38.5 0.3
O11 A:ZRW201 4.3 43.3 0.3
O26 A:ZRW201 4.4 40.9 0.3
O12 A:ZRW201 4.4 42.5 0.3
O53 A:ZRW201 4.4 41.1 0.3
O35 A:ZRW201 4.6 44.0 0.3
O54 A:ZRW201 4.6 50.5 0.3
O31 A:ZRW201 4.7 41.6 0.3
O30 A:ZRW201 4.8 39.3 0.3
O44 A:ZRW201 4.8 35.8 0.3

Tungsten binding site 3 out of 17 in 6hyb

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Tungsten binding site 3 out of 17 in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 3 of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W201

b:38.9
occ:0.30
 W11 A:ZRW201 0.0 38.9 0.3
O35 A:ZRW201 1.7 44.0 0.3
O36 A:ZRW201 1.9 39.6 0.3
O34 A:ZRW201 1.9 41.6 0.3
O48 A:ZRW201 1.9 44.5 0.3
O26 A:ZRW201 1.9 40.9 0.3
O43 A:ZRW201 2.4 39.6 0.3
HG21 A:THR47 3.1 55.4 1.0
W12 A:ZRW201 3.4 36.5 0.3
P2 A:ZRW201 3.5 42.2 0.3
O47 A:ZRW201 3.6 38.0 0.3
O27 A:ZRW201 3.7 38.0 0.3
W10 A:ZRW201 3.7 35.6 0.3
W16 A:ZRW201 3.7 40.1 0.3
O49 A:ZRW201 3.7 44.9 0.3
W5 A:ZRW201 3.8 37.8 0.3
O42 A:ZRW201 3.9 37.3 0.3
O13 A:ZRW201 3.9 42.8 0.3
O45 A:ZRW201 3.9 45.3 0.3
CG2 A:THR47 3.9 46.1 1.0
HG22 A:THR47 4.0 55.4 1.0
HB A:THR47 4.1 46.1 1.0
O22 A:ZRW201 4.2 39.6 0.3
HA A:THR47 4.3 47.9 1.0
O55 A:ZRW201 4.4 36.9 0.3
O25 A:ZRW201 4.4 39.1 0.3
O14 A:ZRW201 4.4 37.3 0.3
O15 A:ZRW201 4.5 40.6 0.3
CB A:THR47 4.5 38.4 1.0
O33 A:ZRW201 4.6 36.8 0.3
O37 A:ZRW201 4.6 41.4 0.3
HG23 A:THR47 4.6 55.4 1.0
O54 A:ZRW201 4.7 50.5 0.3
O38 A:ZRW201 4.8 38.2 0.3
O44 A:ZRW201 4.9 35.8 0.3
CA A:THR47 5.0 39.9 1.0
W17 A:ZRW201 5.0 41.7 0.3

Tungsten binding site 4 out of 17 in 6hyb

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Tungsten binding site 4 out of 17 in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 4 of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W201

b:36.5
occ:0.30
 W12 A:ZRW201 0.0 36.5 0.3
O37 A:ZRW201 1.7 41.4 0.3
O27 A:ZRW201 1.8 38.0 0.3
O38 A:ZRW201 1.9 38.2 0.3
O36 A:ZRW201 1.9 39.6 0.3
O49 A:ZRW201 2.0 44.9 0.3
O43 A:ZRW201 2.3 39.6 0.3
W11 A:ZRW201 3.4 38.9 0.3
P2 A:ZRW201 3.5 42.2 0.3
O26 A:ZRW201 3.7 40.9 0.3
O50 A:ZRW201 3.7 41.5 0.3
W13 A:ZRW201 3.7 38.3 0.3
W17 A:ZRW201 3.8 41.7 0.3
O17 A:ZRW201 3.8 36.5 0.3
O48 A:ZRW201 3.8 44.5 0.3
W6 A:ZRW201 3.9 39.9 0.3
O44 A:ZRW201 3.9 35.8 0.3
O45 A:ZRW201 3.9 45.3 0.3
O22 A:ZRW201 4.1 39.6 0.3
O28 A:ZRW201 4.4 41.5 0.3
HG21 A:THR47 4.4 55.4 1.0
O15 A:ZRW201 4.4 40.6 0.3
O16 A:ZRW201 4.4 43.7 0.3
O55 A:ZRW201 4.5 36.9 0.3
O39 A:ZRW201 4.6 44.2 0.3
HG22 A:THR47 4.6 55.4 1.0
O35 A:ZRW201 4.6 44.0 0.3
O56 A:ZRW201 4.7 45.9 0.3
O34 A:ZRW201 4.8 41.6 0.3
O42 A:ZRW201 4.8 37.3 0.3
CG2 A:THR47 4.9 46.1 1.0
W5 A:ZRW201 5.0 37.8 0.3

Tungsten binding site 5 out of 17 in 6hyb

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Tungsten binding site 5 out of 17 in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 5 of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W201

b:38.3
occ:0.30
 W13 A:ZRW201 0.0 38.3 0.3
O39 A:ZRW201 1.7 44.2 0.3
O28 A:ZRW201 1.8 41.5 0.3
O38 A:ZRW201 1.9 38.2 0.3
O40 A:ZRW201 1.9 47.1 0.3
O50 A:ZRW201 2.0 41.5 0.3
O44 A:ZRW201 2.3 35.8 0.3
W14 A:ZRW201 3.3 39.2 0.3
P2 A:ZRW201 3.5 42.2 0.3
O29 A:ZRW201 3.6 38.4 0.3
W12 A:ZRW201 3.7 36.5 0.3
O49 A:ZRW201 3.7 44.9 0.3
W17 A:ZRW201 3.8 41.7 0.3
O17 A:ZRW201 3.8 36.5 0.3
O51 A:ZRW201 3.8 42.6 0.3
W7 A:ZRW201 3.8 37.1 0.3
O43 A:ZRW201 3.9 39.6 0.3
O45 A:ZRW201 3.9 45.3 0.3
O23 A:ZRW201 4.1 39.6 0.3
O18 A:ZRW201 4.3 41.9 0.3
O27 A:ZRW201 4.4 38.0 0.3
O19 A:ZRW201 4.4 42.3 0.3
O57 A:ZRW201 4.5 44.9 0.3
O37 A:ZRW201 4.6 41.4 0.3
O41 A:ZRW201 4.6 46.5 0.3
O56 A:ZRW201 4.7 45.9 0.3
O30 A:ZRW201 4.7 39.3 0.3
O42 A:ZRW201 4.8 37.3 0.3
W8 A:ZRW201 5.0 36.9 0.3

Tungsten binding site 6 out of 17 in 6hyb

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Tungsten binding site 6 out of 17 in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 6 of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W201

b:39.2
occ:0.30
 W14 A:ZRW201 0.0 39.2 0.3
O41 A:ZRW201 1.7 46.5 0.3
O30 A:ZRW201 1.8 39.3 0.3
O29 A:ZRW201 1.9 38.4 0.3
O51 A:ZRW201 1.9 42.6 0.3
O40 A:ZRW201 1.9 47.1 0.3
O44 A:ZRW201 2.4 35.8 0.3
W13 A:ZRW201 3.3 38.3 0.3
P2 A:ZRW201 3.5 42.2 0.3
O46 A:ZRW201 3.6 44.0 0.3
W9 A:ZRW201 3.7 36.2 0.3
O28 A:ZRW201 3.7 41.5 0.3
W15 A:ZRW201 3.7 38.9 0.3
W8 A:ZRW201 3.8 36.9 0.3
O50 A:ZRW201 3.8 41.5 0.3
O42 A:ZRW201 3.8 37.3 0.3
O9 A:ZRW201 3.8 35.4 0.3
O45 A:ZRW201 3.9 45.3 0.3
O23 A:ZRW201 4.2 39.6 0.3
O24 A:ZRW201 4.4 38.1 0.3
O20 A:ZRW201 4.4 42.2 0.3
O57 A:ZRW201 4.4 44.9 0.3
O19 A:ZRW201 4.4 42.3 0.3
O31 A:ZRW201 4.5 41.6 0.3
O52 A:ZRW201 4.6 45.2 0.3
O39 A:ZRW201 4.6 44.2 0.3
O38 A:ZRW201 4.8 38.2 0.3
O43 A:ZRW201 4.8 39.6 0.3
W17 A:ZRW201 5.0 41.7 0.3

Tungsten binding site 7 out of 17 in 6hyb

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Tungsten binding site 7 out of 17 in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 7 of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W201

b:38.9
occ:0.30
 W15 A:ZRW201 0.0 38.9 0.3
O52 A:ZRW201 1.7 45.2 0.3
O46 A:ZRW201 1.9 44.0 0.3
O51 A:ZRW201 1.9 42.6 0.3
O57 A:ZRW201 1.9 44.9 0.3
O53 A:ZRW201 1.9 41.1 0.3
O45 A:ZRW201 2.4 45.3 0.3
W17 A:ZRW201 3.4 41.7 0.3
W16 A:ZRW201 3.4 40.1 0.3
P2 A:ZRW201 3.5 42.2 0.3
O55 A:ZRW201 3.6 36.9 0.3
O30 A:ZRW201 3.7 39.3 0.3
W14 A:ZRW201 3.7 39.2 0.3
W9 A:ZRW201 3.7 36.2 0.3
O50 A:ZRW201 3.8 41.5 0.3
O47 A:ZRW201 3.8 38.0 0.3
O44 A:ZRW201 3.8 35.8 0.3
O42 A:ZRW201 3.8 37.3 0.3
O32 A:ZRW201 4.4 41.0 0.3
O40 A:ZRW201 4.4 47.1 0.3
O41 A:ZRW201 4.5 46.5 0.3
O31 A:ZRW201 4.5 41.6 0.3
O54 A:ZRW201 4.6 50.5 0.3
O56 A:ZRW201 4.6 45.9 0.3
O49 A:ZRW201 4.8 44.9 0.3
O43 A:ZRW201 4.8 39.6 0.3
O48 A:ZRW201 4.8 44.5 0.3

Tungsten binding site 8 out of 17 in 6hyb

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Tungsten binding site 8 out of 17 in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 8 of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W201

b:40.1
occ:0.30
 W16 A:ZRW201 0.0 40.1 0.3
O54 A:ZRW201 1.7 50.5 0.3
O47 A:ZRW201 1.9 38.0 0.3
O55 A:ZRW201 1.9 36.9 0.3
O48 A:ZRW201 1.9 44.5 0.3
O53 A:ZRW201 1.9 41.1 0.3
O45 A:ZRW201 2.4 45.3 0.3
W17 A:ZRW201 3.4 41.7 0.3
W15 A:ZRW201 3.4 38.9 0.3
P2 A:ZRW201 3.5 42.2 0.3
O57 A:ZRW201 3.6 44.9 0.3
O34 A:ZRW201 3.6 41.6 0.3
W11 A:ZRW201 3.7 38.9 0.3
W10 A:ZRW201 3.7 35.6 0.3
O49 A:ZRW201 3.7 44.9 0.3
O43 A:ZRW201 3.8 39.6 0.3
O42 A:ZRW201 3.8 37.3 0.3
O46 A:ZRW201 3.8 44.0 0.3
O32 A:ZRW201 4.4 41.0 0.3
O36 A:ZRW201 4.4 39.6 0.3
O33 A:ZRW201 4.5 36.8 0.3
O35 A:ZRW201 4.6 44.0 0.3
O56 A:ZRW201 4.6 45.9 0.3
O52 A:ZRW201 4.7 45.2 0.3
O50 A:ZRW201 4.8 41.5 0.3
O44 A:ZRW201 4.8 35.8 0.3
O51 A:ZRW201 4.8 42.6 0.3

Tungsten binding site 9 out of 17 in 6hyb

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Tungsten binding site 9 out of 17 in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 9 of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W201

b:41.7
occ:0.30
 W17 A:ZRW201 0.0 41.7 0.3
O56 A:ZRW201 1.7 45.9 0.3
O49 A:ZRW201 1.9 44.9 0.3
O50 A:ZRW201 1.9 41.5 0.3
O57 A:ZRW201 2.0 44.9 0.3
O55 A:ZRW201 2.0 36.9 0.3
O45 A:ZRW201 2.3 45.3 0.3
W16 A:ZRW201 3.4 40.1 0.3
W15 A:ZRW201 3.4 38.9 0.3
P2 A:ZRW201 3.5 42.2 0.3
O38 A:ZRW201 3.6 38.2 0.3
O53 A:ZRW201 3.6 41.1 0.3
W12 A:ZRW201 3.8 36.5 0.3
W13 A:ZRW201 3.8 38.3 0.3
O43 A:ZRW201 3.8 39.6 0.3
O44 A:ZRW201 3.8 35.8 0.3
O51 A:ZRW201 3.8 42.6 0.3
O48 A:ZRW201 3.8 44.5 0.3
O36 A:ZRW201 4.4 39.6 0.3
O40 A:ZRW201 4.4 47.1 0.3
O39 A:ZRW201 4.5 44.2 0.3
O37 A:ZRW201 4.5 41.4 0.3
O52 A:ZRW201 4.7 45.2 0.3
O54 A:ZRW201 4.7 50.5 0.3
O47 A:ZRW201 4.7 38.0 0.3
O42 A:ZRW201 4.8 37.3 0.3
O46 A:ZRW201 4.8 44.0 0.3
W11 A:ZRW201 5.0 38.9 0.3
W14 A:ZRW201 5.0 39.2 0.3

Tungsten binding site 10 out of 17 in 6hyb

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Tungsten binding site 10 out of 17 in the Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl)


Mono view


Stereo pair view

A full contact list of Tungsten with other atoms in the W binding site number 10 of Zr(IV)-Substituted Wells-Dawson Binding to Hen Egg-White Lysozyme (Hewl) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:W201

b:35.7
occ:0.30
 W2 A:ZRW201 0.0 35.7 0.3
O3 A:ZRW201 1.7 39.2 0.3
O2L A:ZRW201 1.8 38.3 0.3
O6 A:ZRW201 1.9 40.0 0.3
O2 A:ZRW201 1.9 35.2 0.3
O5 A:ZRW201 2.0 41.0 0.3
O8 A:ZRW201 2.3 40.8 0.3
W1 A:ZRW201 3.3 35.4 0.3
O1L A:ZRW201 3.4 38.1 0.3
P1 A:ZRW201 3.5 35.0 0.3
HB3 A:ARG45 3.7 46.4 1.0
O3L A:ZRW201 3.7 41.5 0.3
W5 A:ZRW201 3.7 37.8 0.3
ZR1 A:ZRW201 3.8 37.6 0.3
O13 A:ZRW201 3.8 42.8 0.3
W4 A:ZRW201 3.8 33.0 0.3
O22 A:ZRW201 3.8 39.6 0.3
O4 A:ZRW201 3.9 40.1 0.3
O A:HOH316 3.9 42.5 1.0
O21 A:ZRW201 3.9 38.5 0.3
O A:HOH303 3.9 46.1 1.0
HB2 A:ARG45 4.3 46.4 1.0
O15 A:ZRW201 4.4 40.6 0.3
CB A:ARG45 4.4 38.6 1.0
O14 A:ZRW201 4.5 37.3 0.3
O11 A:ZRW201 4.6 43.3 0.3
O1 A:ZRW201 4.6 35.4 0.3
O12 A:ZRW201 4.7 42.5 0.3
O23 A:ZRW201 4.7 39.6 0.3
O7 A:ZRW201 4.7 39.1 0.3
HG2 A:ARG45 4.8 60.9 1.0
O4L A:ZRW201 4.8 37.1 0.3
W6 A:ZRW201 4.9 39.9 0.3
H A:ARG45 4.9 36.2 1.0

Reference:

L.Vandebroek, Y.Mampaey, S.Antonyuk, L.Van Meervelt, T.N.Parac-Vogt. Noncovalent Complexes Formed Between Metal-Substituted Polyoxometalates and Hen Egg White Lysozyme Eur J Inorg Chem 2019.
ISSN: ESSN 1099-0682
DOI: 10.1002/EJIC.201801113
Page generated: Sat Oct 12 06:02:14 2024

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