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:
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 Sites List in 8bqr
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 Sites List in 8bqr
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 Sites List in 8bqr
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
Go back to
Molybdenum Binding Sites List in 8bqr
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 Sites List in 8bqr
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
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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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