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Molybdenum in PDB 8bqr: Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate

Enzymatic activity of Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate

All present enzymatic activity of Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate:
3.2.1.17;

Protein crystallography data

The structure of Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate, PDB code: 8bqr was solved by S.Lentink, D.E.Salazar Marcano, M.A.Moussawi, L.Vandebroek, L.Vanmeervelt, T.N.Parac-Vogt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.70 / 2.32
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.394, 79.394, 35.136, 90, 90, 90
R / Rfree (%) 25.1 / 27.8

Other elements in 8bqr:

The structure of Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Manganese (Mn) 1 atom

Molybdenum Binding Sites:

The binding sites of Molybdenum atom in the Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate (pdb code 8bqr). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total 6 binding sites of Molybdenum where determined in the Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate, PDB code: 8bqr:
Jump to Molybdenum binding site number: 1; 2; 3; 4; 5; 6;

Molybdenum binding site 1 out of 6 in 8bqr

Go back to Molybdenum Binding Sites List in 8bqr
Molybdenum binding site 1 out of 6 in the Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:51.1
occ:0.44
 MO1 A:R9H201 0.0 51.1 0.4
O5 A:R9H201 1.7 57.1 0.4
O12 A:R9H201 1.7 53.2 0.4
O6 A:R9H201 1.9 54.2 0.4
O9 A:R9H201 1.9 56.2 0.4
O2 A:R9H201 2.3 59.7 0.4
O3 A:R9H201 2.4 57.2 0.4
MO4 A:R9H201 3.3 51.5 0.4
MO3 A:R9H201 3.3 55.8 0.4
MN1 A:R9H201 3.3 47.6 0.4
C2 A:R9H201 3.4 59.0 0.4
C6 A:R9H201 3.4 58.7 0.4
O11 A:R9H201 3.7 53.5 0.4
O17 A:R9H201 3.8 49.6 0.4
O1 A:R9H201 3.8 58.4 0.4
O16 A:R9H201 3.9 55.9 0.4
CA A:ALA11 4.2 44.1 1.0
CB A:ALA11 4.2 51.1 1.0
NE A:ARG14 4.4 61.9 1.0
C4 A:R9H201 4.4 59.3 0.4
C7 A:R9H201 4.5 58.5 0.4
C1 A:R9H201 4.5 58.0 0.4
O22 A:R9H201 4.5 61.4 0.4
C5 A:R9H201 4.5 58.7 0.4
CD A:ARG14 4.5 48.5 1.0
CE1 A:HIS15 4.5 50.4 1.0
O14 A:R9H201 4.5 54.7 0.4
CG A:ARG14 4.6 48.7 1.0
O8 A:R9H201 4.6 54.6 0.4
O18 A:R9H201 4.7 54.8 0.4
CB A:ARG14 4.7 51.4 1.0
ND1 A:HIS15 4.8 47.0 1.0
O15 A:R9H201 4.9 60.8 0.4
O A:ALA11 5.0 47.1 1.0
O4 A:R9H201 5.0 56.0 0.4

Molybdenum binding site 2 out of 6 in 8bqr

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Molybdenum binding site 2 out of 6 in the Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 2 of Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:56.4
occ:0.44
 MO2 A:R9H201 0.0 56.4 0.4
O13 A:R9H201 1.7 50.3 0.4
O7 A:R9H201 1.7 56.2 0.4
O8 A:R9H201 1.9 54.6 0.4
O10 A:R9H201 1.9 57.6 0.4
O4 A:R9H201 2.4 56.0 0.4
O1 A:R9H201 2.4 58.4 0.4
MO3 A:R9H201 3.3 55.8 0.4
C7 A:R9H201 3.3 58.5 0.4
MN1 A:R9H201 3.3 47.6 0.4
MO5 A:R9H201 3.3 54.4 0.4
C3 A:R9H201 3.4 56.2 0.4
O14 A:R9H201 3.6 54.7 0.4
O19 A:R9H201 3.7 58.2 0.4
O3 A:R9H201 3.8 57.2 0.4
O15 A:R9H201 3.8 60.8 0.4
C8 A:R9H201 4.3 57.0 0.4
C2 A:R9H201 4.4 59.0 0.4
O A:SER86 4.4 57.9 1.0
C5 A:R9H201 4.4 58.7 0.4
C1 A:R9H201 4.5 58.0 0.4
O11 A:R9H201 4.5 53.5 0.4
O23 A:R9H201 4.6 57.9 0.4
O6 A:R9H201 4.6 54.2 0.4
O20 A:R9H201 4.7 57.7 0.4
CA A:ASP87 4.7 53.2 1.0
C A:SER86 4.8 54.6 1.0
N A:ASP87 4.8 53.7 1.0
O16 A:R9H201 4.9 55.9 0.4
NZ A:LYS1 4.9 46.3 1.0
CB A:ASP87 4.9 52.6 1.0
O2 A:R9H201 4.9 59.7 0.4

Molybdenum binding site 3 out of 6 in 8bqr

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Molybdenum binding site 3 out of 6 in the Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 3 of Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:55.8
occ:0.44
 MO3 A:R9H201 0.0 55.8 0.4
O14 A:R9H201 1.7 54.7 0.4
O11 A:R9H201 1.7 53.5 0.4
O8 A:R9H201 1.9 54.6 0.4
O6 A:R9H201 1.9 54.2 0.4
O1 A:R9H201 2.3 58.4 0.4
O3 A:R9H201 2.4 57.2 0.4
MO2 A:R9H201 3.3 56.4 0.4
MO1 A:R9H201 3.3 51.1 0.4
MN1 A:R9H201 3.3 47.6 0.4
C7 A:R9H201 3.3 58.5 0.4
C2 A:R9H201 3.4 59.0 0.4
O13 A:R9H201 3.6 50.3 0.4
O12 A:R9H201 3.7 53.2 0.4
O2 A:R9H201 3.9 59.7 0.4
O4 A:R9H201 3.9 56.0 0.4
O A:SER86 4.1 57.9 1.0
NZ A:LYS1 4.3 46.3 1.0
CZ A:PHE3 4.5 52.0 1.0
C6 A:R9H201 4.5 58.7 0.4
C5 A:R9H201 4.5 58.7 0.4
C3 A:R9H201 4.5 56.2 0.4
O5 A:R9H201 4.5 57.1 0.4
C1 A:R9H201 4.5 58.0 0.4
O7 A:R9H201 4.5 56.2 0.4
O10 A:R9H201 4.6 57.6 0.4
CA A:ASP87 4.7 53.2 1.0
O9 A:R9H201 4.7 56.2 0.4
N A:ILE88 4.8 49.2 1.0
CE2 A:PHE3 4.8 51.7 1.0
OD1 A:ASP87 4.8 67.3 1.0
CB A:ALA11 4.9 51.1 1.0
O15 A:R9H201 4.9 60.8 0.4
O16 A:R9H201 4.9 55.9 0.4

Molybdenum binding site 4 out of 6 in 8bqr

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Molybdenum binding site 4 out of 6 in the Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 4 of Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:51.5
occ:0.44
 MO4 A:R9H201 0.0 51.5 0.4
O17 A:R9H201 1.7 49.6 0.4
O22 A:R9H201 1.7 61.4 0.4
O9 A:R9H201 1.9 56.2 0.4
O18 A:R9H201 1.9 54.8 0.4
O2 A:R9H201 2.3 59.7 0.4
O16 A:R9H201 2.4 55.9 0.4
MN1 A:R9H201 3.3 47.6 0.4
MO1 A:R9H201 3.3 51.1 0.4
C6 A:R9H201 3.4 58.7 0.4
MO6 A:R9H201 3.4 54.4 0.4
C4 A:R9H201 3.4 59.3 0.4
O21 A:R9H201 3.7 55.5 0.4
O5 A:R9H201 3.8 57.1 0.4
O15 A:R9H201 3.8 60.8 0.4
O3 A:R9H201 3.9 57.2 0.4
NE A:ARG14 4.3 61.9 1.0
C2 A:R9H201 4.4 59.0 0.4
C5 A:R9H201 4.5 58.7 0.4
O12 A:R9H201 4.5 53.2 0.4
C8 A:R9H201 4.5 57.0 0.4
C1 A:R9H201 4.5 58.0 0.4
O24 A:R9H201 4.6 53.2 0.4
O6 A:R9H201 4.6 54.2 0.4
O20 A:R9H201 4.7 57.7 0.4
CG A:ARG14 4.8 48.7 1.0
O1 A:R9H201 4.8 58.4 0.4
O4 A:R9H201 5.0 56.0 0.4

Molybdenum binding site 5 out of 6 in 8bqr

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Molybdenum binding site 5 out of 6 in the Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 5 of Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:54.4
occ:0.44
 MO5 A:R9H201 0.0 54.4 0.4
O23 A:R9H201 1.7 57.9 0.4
O19 A:R9H201 1.7 58.2 0.4
O10 A:R9H201 1.9 57.6 0.4
O20 A:R9H201 1.9 57.7 0.4
O4 A:R9H201 2.4 56.0 0.4
O15 A:R9H201 2.4 60.8 0.4
C8 A:R9H201 3.3 57.0 0.4
MO6 A:R9H201 3.3 54.4 0.4
MO2 A:R9H201 3.3 56.4 0.4
MN1 A:R9H201 3.3 47.6 0.4
C3 A:R9H201 3.4 56.2 0.4
O24 A:R9H201 3.6 53.2 0.4
O7 A:R9H201 3.7 56.2 0.4
O16 A:R9H201 3.9 55.9 0.4
O1 A:R9H201 3.9 58.4 0.4
C7 A:R9H201 4.4 58.5 0.4
C4 A:R9H201 4.4 59.3 0.4
C5 A:R9H201 4.4 58.7 0.4
C1 A:R9H201 4.5 58.0 0.4
O13 A:R9H201 4.6 50.3 0.4
O21 A:R9H201 4.6 55.5 0.4
O8 A:R9H201 4.7 54.6 0.4
O18 A:R9H201 4.7 54.8 0.4
O3 A:R9H201 4.9 57.2 0.4
O2 A:R9H201 5.0 59.7 0.4

Molybdenum binding site 6 out of 6 in 8bqr

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Molybdenum binding site 6 out of 6 in the Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 6 of Hen Egg-White Lysozyme (Hewl) Complexed with Biotin-Functionalised Anderson-Evans Polyoxometalate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mo201

b:54.4
occ:0.44
 MO6 A:R9H201 0.0 54.4 0.4
O24 A:R9H201 1.7 53.2 0.4
O21 A:R9H201 1.7 55.5 0.4
O20 A:R9H201 1.9 57.7 0.4
O18 A:R9H201 1.9 54.8 0.4
O15 A:R9H201 2.3 60.8 0.4
O16 A:R9H201 2.4 55.9 0.4
MN1 A:R9H201 3.3 47.6 0.4
MO5 A:R9H201 3.3 54.4 0.4
C8 A:R9H201 3.3 57.0 0.4
MO4 A:R9H201 3.4 51.5 0.4
C4 A:R9H201 3.4 59.3 0.4
O23 A:R9H201 3.6 57.9 0.4
O22 A:R9H201 3.8 61.4 0.4
O4 A:R9H201 3.9 56.0 0.4
O2 A:R9H201 3.9 59.7 0.4
C6 A:R9H201 4.4 58.7 0.4
C5 A:R9H201 4.4 58.7 0.4
C3 A:R9H201 4.5 56.2 0.4
C1 A:R9H201 4.5 58.0 0.4
O17 A:R9H201 4.6 49.6 0.4
O19 A:R9H201 4.6 58.2 0.4
O10 A:R9H201 4.6 57.6 0.4
O9 A:R9H201 4.7 56.2 0.4
O1 A:R9H201 4.9 58.4 0.4
O3 A:R9H201 4.9 57.2 0.4

Reference:

S.Lentink, D.Salazar Marcano, M.A.Moussawi, L.Vandebroek, L.Van Meervelt, T.Parac-Vogt. Fine-Tuning Non-Covalent Interactions Between Hybrid Metal-Oxo Clusters and Proteins Faraday Disc.Chem.Soc 2022.
ISSN: ESSN 1364-5498
DOI: 10.1039/D2FD00161F
Page generated: Sun Oct 6 17:06:03 2024

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