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Tungsten in PDB 4xyy: Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate

Enzymatic activity of Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate

All present enzymatic activity of Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate:
3.2.1.17;

Protein crystallography data

The structure of Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate, PDB code: 4xyy was solved by E.De Zitter, L.Van Meervelt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.62 / 1.38
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 77.232, 77.232, 37.961, 90.00, 90.00, 90.00
R / Rfree (%) 16.2 / 18.4

Other elements in 4xyy:

The structure of Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate also contains other interesting chemical elements:

Zirconium (Zr) 1 atom

Tungsten Binding Sites:

Pages:

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

Binding sites:

The binding sites of Tungsten atom in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate (pdb code 4xyy). This binding sites where shown within 5.0 Angstroms radius around Tungsten atom.
In total 11 binding sites of Tungsten where determined in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate, PDB code: 4xyy:
Jump to Tungsten binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Tungsten binding site 1 out of 11 in 4xyy

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Tungsten binding site 1 out of 11 in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate


Mono view


Stereo pair view

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

b:12.1
occ:0.22
 W22 A:ZKG201 0.0 12.1 0.2
O74 A:ZKG201 1.7 17.8 0.2
O67 A:ZKG201 1.9 17.5 0.2
O73 A:ZKG201 1.9 14.6 0.2
O68 A:ZKG201 2.0 13.6 0.2
O69 A:ZKG201 2.0 17.4 0.2
O62 A:ZKG201 2.4 16.2 0.2
W21 A:ZKG201 3.4 14.4 0.2
W20 A:ZKG201 3.5 12.3 0.2
P2 A:ZKG201 3.5 12.9 0.2
O71 A:ZKG201 3.6 18.4 0.2
O57 A:ZKG201 3.6 18.3 0.2
W19 A:ZKG201 3.7 14.3 0.2
O61 A:ZKG201 3.7 16.4 0.2
W18 A:ZKG201 3.7 14.5 0.2
O66 A:ZKG201 3.8 17.8 0.2
O63 A:ZKG201 3.8 15.1 0.2
O59 A:ZKG201 3.9 16.6 0.2
O55 A:ZKG201 4.3 16.7 0.2
O A:HOH389 4.4 31.6 1.0
O47 A:ZKG201 4.4 14.8 0.2
O56 A:ZKG201 4.6 16.9 0.2
O58 A:ZKG201 4.6 16.7 0.2
O72 A:ZKG201 4.6 18.9 0.2
O70 A:ZKG201 4.7 19.7 0.2
O64 A:ZKG201 4.8 14.5 0.2
O65 A:ZKG201 4.9 18.8 0.2
O60 A:ZKG201 4.9 17.5 0.2
W17 A:ZKG201 5.0 13.4 0.2

Tungsten binding site 2 out of 11 in 4xyy

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Tungsten binding site 2 out of 11 in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate


Mono view


Stereo pair view

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

b:12.3
occ:0.22
 W20 A:ZKG201 0.0 12.3 0.2
O70 A:ZKG201 1.7 19.7 0.2
O64 A:ZKG201 1.8 14.5 0.2
O69 A:ZKG201 1.9 17.4 0.2
O71 A:ZKG201 1.9 18.4 0.2
O63 A:ZKG201 2.0 15.1 0.2
O62 A:ZKG201 2.4 16.2 0.2
W21 A:ZKG201 3.4 14.4 0.2
W22 A:ZKG201 3.5 12.1 0.2
O73 A:ZKG201 3.5 14.6 0.2
P2 A:ZKG201 3.5 12.9 0.2
O49 A:ZKG201 3.6 17.0 0.2
W15 A:ZKG201 3.6 13.1 0.2
O65 A:ZKG201 3.8 18.8 0.2
W14 A:ZKG201 3.8 15.9 0.2
O A:HOH389 3.8 31.6 1.0
O60 A:ZKG201 3.9 17.5 0.2
O68 A:ZKG201 3.9 13.6 0.2
O59 A:ZKG201 4.0 16.6 0.2
O A:HOH309 4.0 32.1 1.0
O51 A:ZKG201 4.3 13.0 0.2
O47 A:ZKG201 4.4 14.8 0.2
CB A:ARG45 4.5 17.6 0.4
CB A:ARG45 4.5 18.2 0.6
O50 A:ZKG201 4.5 19.6 0.2
O48 A:ZKG201 4.6 15.9 0.2
O72 A:ZKG201 4.6 18.9 0.2
O74 A:ZKG201 4.6 17.8 0.2
O61 A:ZKG201 4.8 16.4 0.2
O66 A:ZKG201 4.8 17.8 0.2
O A:HOH320 4.9 35.5 1.0
O67 A:ZKG201 4.9 17.5 0.2
W16 A:ZKG201 5.0 11.7 0.2
CG A:ARG45 5.0 17.8 0.4

Tungsten binding site 3 out of 11 in 4xyy

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Tungsten binding site 3 out of 11 in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate


Mono view


Stereo pair view

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

b:14.4
occ:0.22
 W21 A:ZKG201 0.0 14.4 0.2
O72 A:ZKG201 1.7 18.9 0.2
O66 A:ZKG201 1.8 17.8 0.2
O73 A:ZKG201 1.9 14.6 0.2
O65 A:ZKG201 1.9 18.8 0.2
O71 A:ZKG201 1.9 18.4 0.2
O62 A:ZKG201 2.4 16.2 0.2
W20 A:ZKG201 3.4 12.3 0.2
W22 A:ZKG201 3.4 12.1 0.2
O53 A:ZKG201 3.4 16.9 0.2
P2 A:ZKG201 3.5 12.9 0.2
W17 A:ZKG201 3.6 13.4 0.2
O69 A:ZKG201 3.6 17.4 0.2
W16 A:ZKG201 3.6 11.7 0.2
O61 A:ZKG201 3.7 16.4 0.2
O A:HOH301 3.8 33.7 1.0
O64 A:ZKG201 3.8 14.5 0.2
O67 A:ZKG201 3.9 17.5 0.2
O60 A:ZKG201 3.9 17.5 0.2
O55 A:ZKG201 4.3 16.7 0.2
O51 A:ZKG201 4.3 13.0 0.2
O54 A:ZKG201 4.5 19.1 0.2
O52 A:ZKG201 4.6 12.8 0.2
O74 A:ZKG201 4.6 17.8 0.2
O70 A:ZKG201 4.7 19.7 0.2
O63 A:ZKG201 4.8 15.1 0.2
O59 A:ZKG201 4.9 16.6 0.2
O68 A:ZKG201 4.9 13.6 0.2

Tungsten binding site 4 out of 11 in 4xyy

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Tungsten binding site 4 out of 11 in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate


Mono view


Stereo pair view

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

b:14.5
occ:0.22
 W18 A:ZKG201 0.0 14.5 0.2
O78 A:ZKG201 1.7 18.7 0.2
O56 A:ZKG201 1.7 16.9 0.2
O57 A:ZKG201 1.9 18.3 0.2
O55 A:ZKG201 1.9 16.7 0.2
O67 A:ZKG201 2.0 17.5 0.2
O61 A:ZKG201 2.3 16.4 0.2
W17 A:ZKG201 3.4 13.4 0.2
P2 A:ZKG201 3.6 12.9 0.2
ZR1 A:ZKG201 3.6 18.9 0.2
O77 A:ZKG201 3.6 19.5 0.2
O68 A:ZKG201 3.6 13.6 0.2
W19 A:ZKG201 3.6 14.3 0.2
W22 A:ZKG201 3.7 12.1 0.2
O59 A:ZKG201 3.9 16.6 0.2
O66 A:ZKG201 3.9 17.8 0.2
O75 A:ZKG201 3.9 21.3 0.2
O62 A:ZKG201 3.9 16.2 0.2
O A:HOH312 4.0 40.4 1.0
O A:HOH307 4.4 36.0 1.0
O46 A:ZKG201 4.4 19.3 0.2
O73 A:ZKG201 4.4 14.6 0.2
O58 A:ZKG201 4.5 16.7 0.2
O74 A:ZKG201 4.6 17.8 0.2
O54 A:ZKG201 4.7 19.1 0.2
O A:HOH423 4.8 26.2 0.2
O53 A:ZKG201 4.9 16.9 0.2
O60 A:ZKG201 4.9 17.5 0.2

Tungsten binding site 5 out of 11 in 4xyy

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Tungsten binding site 5 out of 11 in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate


Mono view


Stereo pair view

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

b:13.4
occ:0.22
 W17 A:ZKG201 0.0 13.4 0.2
O54 A:ZKG201 1.7 19.1 0.2
O77 A:ZKG201 1.7 19.5 0.2
O55 A:ZKG201 1.9 16.7 0.2
O53 A:ZKG201 1.9 16.9 0.2
O66 A:ZKG201 1.9 17.8 0.2
O61 A:ZKG201 2.3 16.4 0.2
W18 A:ZKG201 3.4 14.5 0.2
O78 A:ZKG201 3.5 18.7 0.2
P2 A:ZKG201 3.5 12.9 0.2
ZR1 A:ZKG201 3.5 18.9 0.2
W21 A:ZKG201 3.6 14.4 0.2
O65 A:ZKG201 3.6 18.8 0.2
W16 A:ZKG201 3.7 11.7 0.2
O67 A:ZKG201 3.9 17.5 0.2
O62 A:ZKG201 3.9 16.2 0.2
O60 A:ZKG201 3.9 17.5 0.2
O76 A:ZKG201 3.9 19.6 0.2
O73 A:ZKG201 4.3 14.6 0.2
O72 A:ZKG201 4.5 18.9 0.2
O45 A:ZKG201 4.5 16.1 0.2
O52 A:ZKG201 4.6 12.8 0.2
O56 A:ZKG201 4.6 16.9 0.2
O A:HOH423 4.8 26.2 0.2
O59 A:ZKG201 4.8 16.6 0.2
O57 A:ZKG201 4.9 18.3 0.2
W22 A:ZKG201 5.0 12.1 0.2
O75 A:ZKG201 5.0 21.3 0.2

Tungsten binding site 6 out of 11 in 4xyy

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Tungsten binding site 6 out of 11 in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate


Mono view


Stereo pair view

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

b:17.3
occ:0.22
 W13 A:ZKG201 0.0 17.3 0.2
O76 A:ZKG201 1.7 19.6 0.2
O42 A:ZKG201 1.7 18.6 0.2
O41 A:ZKG201 1.9 17.0 0.2
O45 A:ZKG201 1.9 16.1 0.2
O44 A:ZKG201 2.0 18.6 0.2
O60 A:ZKG201 2.5 17.5 0.2
W15 A:ZKG201 3.4 13.1 0.2
W16 A:ZKG201 3.5 11.7 0.2
O51 A:ZKG201 3.6 13.0 0.2
W12 A:ZKG201 3.6 19.1 0.2
P2 A:ZKG201 3.7 12.9 0.2
ZR1 A:ZKG201 3.7 18.9 0.2
O75 A:ZKG201 3.8 21.3 0.2
O49 A:ZKG201 3.8 17.0 0.2
O53 A:ZKG201 4.0 16.9 0.2
O59 A:ZKG201 4.0 16.6 0.2
O61 A:ZKG201 4.2 16.4 0.2
O43 A:ZKG201 4.4 17.8 0.2
O77 A:ZKG201 4.5 19.5 0.2
O50 A:ZKG201 4.6 19.6 0.2
O40 A:ZKG201 4.6 17.9 0.2
O52 A:ZKG201 4.7 12.8 0.2
O64 A:ZKG201 4.9 14.5 0.2
O65 A:ZKG201 4.9 18.8 0.2
W14 A:ZKG201 4.9 15.9 0.2

Tungsten binding site 7 out of 11 in 4xyy

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Tungsten binding site 7 out of 11 in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate


Mono view


Stereo pair view

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

b:11.7
occ:0.22
 W16 A:ZKG201 0.0 11.7 0.2
O52 A:ZKG201 1.7 12.8 0.2
O53 A:ZKG201 1.9 16.9 0.2
O65 A:ZKG201 1.9 18.8 0.2
O51 A:ZKG201 2.0 13.0 0.2
O45 A:ZKG201 2.0 16.1 0.2
O60 A:ZKG201 2.5 17.5 0.2
O A:HOH304 3.4 39.6 1.0
W15 A:ZKG201 3.5 13.1 0.2
W13 A:ZKG201 3.5 17.3 0.2
P2 A:ZKG201 3.6 12.9 0.2
O76 A:ZKG201 3.6 19.6 0.2
W21 A:ZKG201 3.6 14.4 0.2
O44 A:ZKG201 3.7 18.6 0.2
O66 A:ZKG201 3.7 17.8 0.2
W17 A:ZKG201 3.7 13.4 0.2
O64 A:ZKG201 3.8 14.5 0.2
O62 A:ZKG201 4.0 16.2 0.2
O61 A:ZKG201 4.0 16.4 0.2
O77 A:ZKG201 4.2 19.5 0.2
O71 A:ZKG201 4.4 18.4 0.2
O72 A:ZKG201 4.5 18.9 0.2
O54 A:ZKG201 4.5 19.1 0.2
O42 A:ZKG201 4.7 18.6 0.2
O50 A:ZKG201 4.7 19.6 0.2
O49 A:ZKG201 4.9 17.0 0.2
O41 A:ZKG201 4.9 17.0 0.2
O59 A:ZKG201 4.9 16.6 0.2
W20 A:ZKG201 5.0 12.3 0.2

Tungsten binding site 8 out of 11 in 4xyy

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Tungsten binding site 8 out of 11 in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate


Mono view


Stereo pair view

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

b:13.1
occ:0.22
 W15 A:ZKG201 0.0 13.1 0.2
O50 A:ZKG201 1.7 19.6 0.2
O44 A:ZKG201 1.8 18.6 0.2
O51 A:ZKG201 1.9 13.0 0.2
O49 A:ZKG201 1.9 17.0 0.2
O64 A:ZKG201 1.9 14.5 0.2
O60 A:ZKG201 2.4 17.5 0.2
W13 A:ZKG201 3.4 17.3 0.2
W16 A:ZKG201 3.5 11.7 0.2
O45 A:ZKG201 3.5 16.1 0.2
O63 A:ZKG201 3.5 15.1 0.2
P2 A:ZKG201 3.6 12.9 0.2
W20 A:ZKG201 3.6 12.3 0.2
W14 A:ZKG201 3.7 15.9 0.2
O41 A:ZKG201 3.7 17.0 0.2
O65 A:ZKG201 3.8 18.8 0.2
O62 A:ZKG201 4.0 16.2 0.2
O59 A:ZKG201 4.0 16.6 0.2
O A:ARG45 4.0 19.3 0.6
O43 A:ZKG201 4.3 17.8 0.2
O71 A:ZKG201 4.4 18.4 0.2
CG A:ARG45 4.4 17.8 0.4
O76 A:ZKG201 4.5 19.6 0.2
O70 A:ZKG201 4.6 19.7 0.2
O48 A:ZKG201 4.6 15.9 0.2
O A:ARG45 4.6 16.0 0.4
CB A:ARG45 4.7 18.2 0.6
O42 A:ZKG201 4.7 18.6 0.2
O A:HOH374 4.7 30.9 1.0
O52 A:ZKG201 4.7 12.8 0.2
C A:ARG45 4.7 17.2 0.6
CB A:ARG45 4.7 17.6 0.4
O53 A:ZKG201 4.8 16.9 0.2
W12 A:ZKG201 4.9 19.1 0.2
C A:ARG45 5.0 16.7 0.4

Tungsten binding site 9 out of 11 in 4xyy

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Tungsten binding site 9 out of 11 in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate


Mono view


Stereo pair view

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

b:19.1
occ:0.22
 W12 A:ZKG201 0.0 19.1 0.2
O40 A:ZKG201 1.7 17.9 0.2
O75 A:ZKG201 1.7 21.3 0.2
O41 A:ZKG201 1.9 17.0 0.2
O46 A:ZKG201 1.9 19.3 0.2
O43 A:ZKG201 2.0 17.8 0.2
O59 A:ZKG201 2.4 16.6 0.2
O A:HOH307 3.1 36.0 1.0
W14 A:ZKG201 3.2 15.9 0.2
W19 A:ZKG201 3.5 14.3 0.2
O76 A:ZKG201 3.5 19.6 0.2
P2 A:ZKG201 3.6 12.9 0.2
O47 A:ZKG201 3.6 14.8 0.2
W13 A:ZKG201 3.6 17.3 0.2
ZR1 A:ZKG201 3.7 18.9 0.2
O49 A:ZKG201 3.7 17.0 0.2
O60 A:ZKG201 3.8 17.5 0.2
O57 A:ZKG201 4.1 18.3 0.2
O61 A:ZKG201 4.1 16.4 0.2
O44 A:ZKG201 4.4 18.6 0.2
O78 A:ZKG201 4.5 18.7 0.2
O48 A:ZKG201 4.6 15.9 0.2
O63 A:ZKG201 4.7 15.1 0.2
O42 A:ZKG201 4.7 18.6 0.2
O58 A:ZKG201 4.8 16.7 0.2
O68 A:ZKG201 4.9 13.6 0.2
O62 A:ZKG201 4.9 16.2 0.2
W15 A:ZKG201 4.9 13.1 0.2

Tungsten binding site 10 out of 11 in 4xyy

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Tungsten binding site 10 out of 11 in the Hen Egg-White Lysozyme (Hewl) Complexed with Zr(IV)-Substituted Keggin-Type Polyoxometalate


Mono view


Stereo pair view

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

b:14.3
occ:0.22
 W19 A:ZKG201 0.0 14.3 0.2
O58 A:ZKG201 1.7 16.7 0.2
O68 A:ZKG201 1.8 13.6 0.2
O57 A:ZKG201 1.9 18.3 0.2
O47 A:ZKG201 1.9 14.8 0.2
O46 A:ZKG201 2.0 19.3 0.2
O59 A:ZKG201 2.4 16.6 0.2
W14 A:ZKG201 3.4 15.9 0.2
P2 A:ZKG201 3.5 12.9 0.2
O75 A:ZKG201 3.5 21.3 0.2
W12 A:ZKG201 3.5 19.1 0.2
O A:HOH307 3.6 36.0 1.0
W18 A:ZKG201 3.6 14.5 0.2
O67 A:ZKG201 3.7 17.5 0.2
W22 A:ZKG201 3.7 12.1 0.2
O63 A:ZKG201 3.8 15.1 0.2
O43 A:ZKG201 3.8 17.8 0.2
O61 A:ZKG201 3.8 16.4 0.2
O62 A:ZKG201 3.9 16.2 0.2
O78 A:ZKG201 4.2 18.7 0.2
O A:HOH323 4.3 29.6 1.0
O A:HOH389 4.3 31.6 1.0
O69 A:ZKG201 4.3 17.4 0.2
O74 A:ZKG201 4.6 17.8 0.2
O56 A:ZKG201 4.6 16.9 0.2
O48 A:ZKG201 4.7 15.9 0.2
O40 A:ZKG201 4.7 17.9 0.2
O49 A:ZKG201 4.8 17.0 0.2
O60 A:ZKG201 4.9 17.5 0.2

Reference:

A.Sap, E.De Zitter, L.Van Meervelt, T.N.Parac-Vogt. Structural Characterization of the Complex Between Hen Egg-White Lysozyme and Zr(IV) -Substituted Keggin Polyoxometalate As Artificial Protease. Chemistry V. 21 11692 2015.
ISSN: ISSN 0947-6539
PubMed: 26179600
DOI: 10.1002/CHEM.201501998
Page generated: Sat Oct 12 04:19:07 2024

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