Tungsten in PDB 8pro: The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
Protein crystallography data
The structure of The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate, PDB code: 8pro
was solved by
L.Vandebroek,
A.R.D.Voet,
X.Y.Lee,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.78 /
1.70
|
Space group
|
I 4 2 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
54.848,
54.848,
118.43,
90,
90,
90
|
R / Rfree (%)
|
16.5 /
18.2
|
Tungsten Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
30;
Page 4, Binding sites: 31 -
40;
Page 5, Binding sites: 41 -
50;
Page 6, Binding sites: 51 -
60;
Page 7, Binding sites: 61 -
70;
Page 8, Binding sites: 71 -
80;
Page 9, Binding sites: 81 -
90;
Page 10, Binding sites: 91 -
96;
Binding sites:
The binding sites of Tungsten atom in the The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
(pdb code 8pro). This binding sites where shown within
5.0 Angstroms radius around Tungsten atom.
In total 96 binding sites of Tungsten where determined in the
The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate, PDB code: 8pro:
Jump to Tungsten binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Tungsten binding site 1 out
of 96 in 8pro
Go back to
Tungsten Binding Sites List in 8pro
Tungsten binding site 1 out
of 96 in the The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
Mono view
Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 1 of The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W101
b:7.1
occ:0.06
|
W1
|
A:IR0101
|
0.0
|
7.1
|
0.1
|
W13
|
A:IR0101
|
1.1
|
5.3
|
0.1
|
O130
|
A:IR0101
|
1.3
|
6.7
|
0.1
|
O50
|
A:IR0101
|
1.4
|
7.8
|
0.1
|
O137
|
A:IR0101
|
1.7
|
8.0
|
0.1
|
O121
|
A:IR0101
|
1.8
|
7.3
|
0.1
|
O81
|
A:IR0101
|
1.9
|
6.9
|
0.1
|
O33
|
A:IR0101
|
2.0
|
7.6
|
0.1
|
O41
|
A:IR0101
|
2.1
|
7.9
|
0.1
|
O147
|
A:IR0101
|
2.2
|
8.0
|
0.1
|
O1
|
A:IR0101
|
2.2
|
6.8
|
0.1
|
O11
|
A:IR0101
|
2.4
|
6.9
|
0.1
|
O83
|
A:IR0101
|
2.8
|
7.1
|
0.1
|
O59
|
A:IR0101
|
2.9
|
7.7
|
0.1
|
W27
|
A:IR0101
|
3.3
|
5.4
|
0.1
|
P1
|
A:IR0101
|
3.4
|
7.2
|
0.1
|
P7
|
A:IR0101
|
3.5
|
7.0
|
0.1
|
O22
|
A:IR0101
|
3.5
|
7.0
|
0.1
|
O89
|
A:IR0101
|
3.7
|
7.4
|
0.1
|
O65
|
A:IR0101
|
3.7
|
7.6
|
0.1
|
W17
|
A:IR0101
|
3.8
|
9.2
|
0.1
|
W9
|
A:IR0101
|
3.8
|
6.2
|
0.1
|
W33
|
A:IR0101
|
3.8
|
11.0
|
0.1
|
O17
|
A:IR0101
|
3.9
|
7.2
|
0.1
|
O75
|
A:IR0101
|
3.9
|
7.0
|
0.1
|
O25
|
A:IR0101
|
3.9
|
7.0
|
0.1
|
O121
|
A:IR0101
|
3.9
|
7.1
|
0.1
|
O57
|
A:IR0101
|
4.0
|
7.2
|
0.1
|
O9
|
A:IR0101
|
4.2
|
6.7
|
0.1
|
O163
|
A:IR0101
|
4.2
|
7.3
|
0.1
|
O31
|
A:IR0101
|
4.3
|
7.3
|
0.1
|
W45
|
A:IR0101
|
4.4
|
6.3
|
0.1
|
O129
|
A:IR0101
|
4.4
|
6.5
|
0.1
|
O145
|
A:IR0101
|
4.5
|
7.6
|
0.1
|
O33
|
A:IR0101
|
4.5
|
7.2
|
0.1
|
O2
|
A:IR0101
|
4.6
|
6.8
|
0.1
|
O97
|
A:IR0101
|
4.6
|
7.2
|
0.1
|
O15
|
A:IR0101
|
4.6
|
6.9
|
0.1
|
O89
|
A:IR0101
|
4.6
|
7.4
|
0.1
|
O153
|
A:IR0101
|
4.7
|
7.7
|
0.1
|
O169
|
A:IR0101
|
4.7
|
7.7
|
0.1
|
W5
|
A:IR0101
|
4.7
|
5.6
|
0.1
|
O5
|
A:IR0101
|
4.9
|
6.9
|
0.1
|
O130
|
A:IR0101
|
5.0
|
6.8
|
0.1
|
|
Tungsten binding site 2 out
of 96 in 8pro
Go back to
Tungsten Binding Sites List in 8pro
Tungsten binding site 2 out
of 96 in the The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
Mono view
Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 2 of The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W101
b:5.9
occ:0.06
|
W1
|
A:IR0101
|
0.0
|
5.9
|
0.1
|
O49
|
A:IR0101
|
0.8
|
7.5
|
0.1
|
W9
|
A:IR0101
|
1.4
|
6.2
|
0.1
|
O137
|
A:IR0101
|
1.7
|
8.0
|
0.1
|
O121
|
A:IR0101
|
1.8
|
7.1
|
0.1
|
O81
|
A:IR0101
|
1.9
|
7.1
|
0.1
|
O33
|
A:IR0101
|
2.0
|
7.2
|
0.1
|
O145
|
A:IR0101
|
2.0
|
7.6
|
0.1
|
O41
|
A:IR0101
|
2.1
|
7.2
|
0.1
|
O1
|
A:IR0101
|
2.2
|
7.0
|
0.1
|
O129
|
A:IR0101
|
2.2
|
6.5
|
0.1
|
O57
|
A:IR0101
|
2.6
|
7.2
|
0.1
|
W25
|
A:IR0101
|
2.6
|
9.6
|
0.1
|
O9
|
A:IR0101
|
2.8
|
6.7
|
0.1
|
O73
|
A:IR0101
|
3.2
|
7.4
|
0.1
|
O81
|
A:IR0101
|
3.3
|
6.9
|
0.1
|
O90
|
A:IR0101
|
3.4
|
7.3
|
0.1
|
P1
|
A:IR0101
|
3.4
|
7.5
|
0.1
|
O161
|
A:IR0101
|
3.4
|
7.9
|
0.1
|
O21
|
A:IR0101
|
3.5
|
7.3
|
0.1
|
P5
|
A:IR0101
|
3.6
|
6.7
|
0.1
|
W17
|
A:IR0101
|
3.7
|
5.6
|
0.1
|
O65
|
A:IR0101
|
3.7
|
7.2
|
0.1
|
W9
|
A:IR0101
|
3.8
|
4.0
|
0.1
|
O17
|
A:IR0101
|
3.8
|
6.9
|
0.1
|
W33
|
A:IR0101
|
3.8
|
6.9
|
0.1
|
O25
|
A:IR0101
|
3.9
|
7.1
|
0.1
|
W41
|
A:IR0101
|
3.9
|
7.6
|
0.1
|
O57
|
A:IR0101
|
4.0
|
7.6
|
0.1
|
O9
|
A:IR0101
|
4.1
|
6.8
|
0.1
|
O29
|
A:IR0101
|
4.2
|
7.2
|
0.1
|
O89
|
A:IR0101
|
4.4
|
7.4
|
0.1
|
O145
|
A:IR0101
|
4.4
|
8.3
|
0.1
|
O129
|
A:IR0101
|
4.4
|
6.6
|
0.1
|
O109
|
A:IR0101
|
4.5
|
7.5
|
0.1
|
O2
|
A:IR0101
|
4.6
|
7.0
|
0.1
|
O97
|
A:IR0101
|
4.6
|
8.1
|
0.1
|
O153
|
A:IR0101
|
4.7
|
7.7
|
0.1
|
O177
|
A:IR0101
|
4.7
|
7.4
|
0.1
|
O36
|
A:IR0101
|
4.7
|
7.5
|
0.1
|
O169
|
A:IR0101
|
4.8
|
8.1
|
0.1
|
O124
|
A:IR0101
|
4.8
|
6.5
|
0.1
|
O10
|
A:IR0101
|
4.9
|
6.9
|
0.1
|
|
Tungsten binding site 3 out
of 96 in 8pro
Go back to
Tungsten Binding Sites List in 8pro
Tungsten binding site 3 out
of 96 in the The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
Mono view
Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 3 of The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W101
b:9.0
occ:0.06
|
W10
|
A:IR0101
|
0.0
|
9.0
|
0.1
|
O126
|
A:IR0101
|
0.5
|
7.5
|
0.1
|
W2
|
A:IR0101
|
1.3
|
7.8
|
0.1
|
O135
|
A:IR0101
|
1.7
|
7.1
|
0.1
|
O150
|
A:IR0101
|
1.8
|
7.4
|
0.1
|
O86
|
A:IR0101
|
1.9
|
7.0
|
0.1
|
O55
|
A:IR0101
|
2.0
|
7.3
|
0.1
|
O62
|
A:IR0101
|
2.1
|
7.0
|
0.1
|
O10
|
A:IR0101
|
2.2
|
6.9
|
0.1
|
O38
|
A:IR0101
|
2.3
|
7.2
|
0.1
|
O142
|
A:IR0101
|
2.3
|
7.7
|
0.1
|
O2
|
A:IR0101
|
2.5
|
7.0
|
0.1
|
O86
|
A:IR0101
|
2.5
|
7.2
|
0.1
|
O46
|
A:IR0101
|
3.4
|
7.4
|
0.1
|
P5
|
A:IR0101
|
3.4
|
6.7
|
0.1
|
W26
|
A:IR0101
|
3.7
|
6.1
|
0.1
|
W2
|
A:IR0101
|
3.8
|
5.0
|
0.1
|
O21
|
A:IR0101
|
3.8
|
7.3
|
0.1
|
O78
|
A:IR0101
|
3.8
|
7.3
|
0.1
|
O136
|
A:IR0101
|
3.8
|
6.8
|
0.1
|
W42
|
A:IR0101
|
3.8
|
6.8
|
0.1
|
P1
|
A:IR0101
|
3.9
|
7.5
|
0.1
|
O29
|
A:IR0101
|
3.9
|
7.2
|
0.1
|
O46
|
A:IR0101
|
4.0
|
7.1
|
0.1
|
O17
|
A:IR0101
|
4.1
|
6.9
|
0.1
|
W18
|
A:IR0101
|
4.1
|
6.0
|
0.1
|
O2
|
A:IR0101
|
4.2
|
6.8
|
0.1
|
O142
|
A:IR0101
|
4.2
|
7.9
|
0.1
|
O95
|
A:IR0101
|
4.3
|
7.5
|
0.1
|
W10
|
A:IR0101
|
4.3
|
3.4
|
0.1
|
O96
|
A:IR0101
|
4.4
|
7.1
|
0.1
|
O126
|
A:IR0101
|
4.4
|
8.1
|
0.1
|
O135
|
A:IR0101
|
4.5
|
7.0
|
0.1
|
O9
|
A:IR0101
|
4.6
|
6.7
|
0.1
|
O102
|
A:IR0101
|
4.6
|
7.4
|
0.1
|
O10
|
A:IR0101
|
4.7
|
6.7
|
0.1
|
O70
|
A:IR0101
|
4.7
|
7.4
|
0.1
|
O166
|
A:IR0101
|
4.7
|
8.1
|
0.1
|
O182
|
A:IR0101
|
4.7
|
7.4
|
0.1
|
O25
|
A:IR0101
|
4.7
|
7.1
|
0.1
|
O1
|
A:IR0101
|
4.8
|
7.0
|
0.1
|
O56
|
A:IR0101
|
4.9
|
7.3
|
0.1
|
O127
|
A:IR0101
|
4.9
|
6.5
|
0.1
|
|
Tungsten binding site 4 out
of 96 in 8pro
Go back to
Tungsten Binding Sites List in 8pro
Tungsten binding site 4 out
of 96 in the The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
Mono view
Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 4 of The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W101
b:3.4
occ:0.06
|
W10
|
A:IR0101
|
0.0
|
3.4
|
0.1
|
O39
|
A:IR0101
|
1.1
|
7.1
|
0.1
|
O150
|
A:IR0101
|
1.7
|
8.2
|
0.1
|
O135
|
A:IR0101
|
1.7
|
7.0
|
0.1
|
O86
|
A:IR0101
|
1.9
|
7.2
|
0.1
|
O55
|
A:IR0101
|
2.0
|
7.1
|
0.1
|
O62
|
A:IR0101
|
2.1
|
7.5
|
0.1
|
O10
|
A:IR0101
|
2.2
|
6.7
|
0.1
|
O127
|
A:IR0101
|
2.2
|
6.5
|
0.1
|
W8
|
A:IR0101
|
2.2
|
6.5
|
0.1
|
O96
|
A:IR0101
|
2.6
|
7.1
|
0.1
|
W24
|
A:IR0101
|
2.6
|
5.9
|
0.1
|
O143
|
A:IR0101
|
2.8
|
7.7
|
0.1
|
O8
|
A:IR0101
|
3.1
|
6.4
|
0.1
|
O20
|
A:IR0101
|
3.3
|
7.2
|
0.1
|
O55
|
A:IR0101
|
3.3
|
7.3
|
0.1
|
P5
|
A:IR0101
|
3.3
|
7.0
|
0.1
|
O159
|
A:IR0101
|
3.4
|
8.0
|
0.1
|
O135
|
A:IR0101
|
3.5
|
7.1
|
0.1
|
O47
|
A:IR0101
|
3.6
|
7.3
|
0.1
|
W26
|
A:IR0101
|
3.7
|
7.6
|
0.1
|
O71
|
A:IR0101
|
3.7
|
7.2
|
0.1
|
O21
|
A:IR0101
|
3.8
|
7.2
|
0.1
|
O78
|
A:IR0101
|
3.8
|
7.5
|
0.1
|
W2
|
A:IR0101
|
3.8
|
7.8
|
0.1
|
P4
|
A:IR0101
|
3.8
|
6.7
|
0.1
|
W42
|
A:IR0101
|
3.8
|
8.7
|
0.1
|
O29
|
A:IR0101
|
3.8
|
7.2
|
0.1
|
W26
|
A:IR0101
|
4.0
|
6.1
|
0.1
|
O2
|
A:IR0101
|
4.0
|
7.0
|
0.1
|
O87
|
A:IR0101
|
4.1
|
7.2
|
0.1
|
O46
|
A:IR0101
|
4.1
|
7.4
|
0.1
|
O108
|
A:IR0101
|
4.3
|
7.5
|
0.1
|
W10
|
A:IR0101
|
4.3
|
9.0
|
0.1
|
O142
|
A:IR0101
|
4.4
|
7.7
|
0.1
|
O126
|
A:IR0101
|
4.4
|
7.5
|
0.1
|
O166
|
A:IR0101
|
4.4
|
8.1
|
0.1
|
O96
|
A:IR0101
|
4.5
|
7.2
|
0.1
|
O9
|
A:IR0101
|
4.5
|
6.8
|
0.1
|
O102
|
A:IR0101
|
4.7
|
7.6
|
0.1
|
O166
|
A:IR0101
|
4.7
|
7.6
|
0.1
|
O21
|
A:IR0101
|
4.7
|
7.3
|
0.1
|
W40
|
A:IR0101
|
4.8
|
5.9
|
0.1
|
O150
|
A:IR0101
|
4.8
|
7.4
|
0.1
|
O182
|
A:IR0101
|
4.8
|
7.9
|
0.1
|
O28
|
A:IR0101
|
4.8
|
7.1
|
0.1
|
O127
|
A:IR0101
|
4.9
|
6.8
|
0.1
|
O7
|
A:IR0101
|
4.9
|
6.8
|
0.1
|
O10
|
A:IR0101
|
4.9
|
6.9
|
0.1
|
|
Tungsten binding site 5 out
of 96 in 8pro
Go back to
Tungsten Binding Sites List in 8pro
Tungsten binding site 5 out
of 96 in the The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
Mono view
Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 5 of The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W101
b:5.3
occ:0.06
|
W11
|
A:IR0101
|
0.0
|
5.3
|
0.1
|
O34
|
A:IR0101
|
1.3
|
7.2
|
0.1
|
O131
|
A:IR0101
|
1.7
|
7.1
|
0.1
|
O146
|
A:IR0101
|
1.7
|
7.5
|
0.1
|
O122
|
A:IR0101
|
1.8
|
7.1
|
0.1
|
W3
|
A:IR0101
|
1.8
|
6.3
|
0.1
|
O82
|
A:IR0101
|
1.9
|
6.6
|
0.1
|
O51
|
A:IR0101
|
2.0
|
7.4
|
0.1
|
O58
|
A:IR0101
|
2.1
|
7.7
|
0.1
|
O12
|
A:IR0101
|
2.2
|
7.0
|
0.1
|
O138
|
A:IR0101
|
2.4
|
7.8
|
0.1
|
W19
|
A:IR0101
|
3.1
|
11.0
|
0.1
|
O3
|
A:IR0101
|
3.2
|
6.8
|
0.1
|
O91
|
A:IR0101
|
3.3
|
7.0
|
0.1
|
P6
|
A:IR0101
|
3.4
|
6.9
|
0.1
|
O42
|
A:IR0101
|
3.4
|
8.0
|
0.1
|
O82
|
A:IR0101
|
3.6
|
7.1
|
0.1
|
O154
|
A:IR0101
|
3.7
|
6.8
|
0.1
|
W28
|
A:IR0101
|
3.7
|
6.1
|
0.1
|
W3
|
A:IR0101
|
3.8
|
3.1
|
0.1
|
O74
|
A:IR0101
|
3.8
|
7.0
|
0.1
|
W43
|
A:IR0101
|
3.8
|
5.6
|
0.1
|
O23
|
A:IR0101
|
3.8
|
7.0
|
0.1
|
O30
|
A:IR0101
|
3.9
|
7.1
|
0.1
|
O18
|
A:IR0101
|
3.9
|
7.3
|
0.1
|
O52
|
A:IR0101
|
3.9
|
7.1
|
0.1
|
O66
|
A:IR0101
|
3.9
|
7.9
|
0.1
|
O132
|
A:IR0101
|
3.9
|
7.2
|
0.1
|
O42
|
A:IR0101
|
4.1
|
7.3
|
0.1
|
P2
|
A:IR0101
|
4.1
|
7.0
|
0.1
|
O3
|
A:IR0101
|
4.2
|
6.7
|
0.1
|
O138
|
A:IR0101
|
4.4
|
7.6
|
0.1
|
O122
|
A:IR0101
|
4.4
|
6.7
|
0.1
|
O92
|
A:IR0101
|
4.5
|
7.5
|
0.1
|
O13
|
A:IR0101
|
4.6
|
6.9
|
0.1
|
W30
|
A:IR0101
|
4.6
|
9.6
|
0.1
|
O98
|
A:IR0101
|
4.6
|
6.8
|
0.1
|
O162
|
A:IR0101
|
4.7
|
7.9
|
0.1
|
O164
|
A:IR0101
|
4.7
|
7.7
|
0.1
|
O178
|
A:IR0101
|
4.8
|
8.3
|
0.1
|
W35
|
A:IR0101
|
4.8
|
12.3
|
0.1
|
W15
|
A:IR0101
|
4.8
|
7.5
|
0.1
|
O26
|
A:IR0101
|
4.9
|
7.5
|
0.1
|
O148
|
A:IR0101
|
4.9
|
8.1
|
0.1
|
O123
|
A:IR0101
|
4.9
|
6.9
|
0.1
|
O106
|
A:IR0101
|
4.9
|
7.4
|
0.1
|
|
Tungsten binding site 6 out
of 96 in 8pro
Go back to
Tungsten Binding Sites List in 8pro
Tungsten binding site 6 out
of 96 in the The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
Mono view
Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 6 of The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W101
b:9.3
occ:0.06
|
W11
|
A:IR0101
|
0.0
|
9.3
|
0.1
|
W5
|
A:IR0101
|
1.0
|
7.8
|
0.1
|
O35
|
A:IR0101
|
1.2
|
7.3
|
0.1
|
O123
|
A:IR0101
|
1.7
|
6.9
|
0.1
|
O131
|
A:IR0101
|
1.7
|
7.5
|
0.1
|
O146
|
A:IR0101
|
1.8
|
8.0
|
0.1
|
O82
|
A:IR0101
|
1.9
|
7.1
|
0.1
|
O51
|
A:IR0101
|
2.0
|
8.0
|
0.1
|
O5
|
A:IR0101
|
2.1
|
6.9
|
0.1
|
O58
|
A:IR0101
|
2.1
|
7.5
|
0.1
|
O139
|
A:IR0101
|
2.2
|
8.3
|
0.1
|
O12
|
A:IR0101
|
2.2
|
7.2
|
0.1
|
O43
|
A:IR0101
|
2.5
|
7.7
|
0.1
|
O83
|
A:IR0101
|
2.8
|
7.0
|
0.1
|
W21
|
A:IR0101
|
3.0
|
5.9
|
0.1
|
P3
|
A:IR0101
|
3.1
|
7.1
|
0.1
|
O19
|
A:IR0101
|
3.2
|
7.0
|
0.1
|
P6
|
A:IR0101
|
3.5
|
7.4
|
0.1
|
O67
|
A:IR0101
|
3.5
|
7.0
|
0.1
|
O92
|
A:IR0101
|
3.6
|
7.5
|
0.1
|
W28
|
A:IR0101
|
3.7
|
6.4
|
0.1
|
O74
|
A:IR0101
|
3.8
|
7.3
|
0.1
|
W43
|
A:IR0101
|
3.8
|
11.3
|
0.1
|
W3
|
A:IR0101
|
3.8
|
6.3
|
0.1
|
O27
|
A:IR0101
|
3.8
|
7.3
|
0.1
|
O30
|
A:IR0101
|
3.9
|
7.5
|
0.1
|
O23
|
A:IR0101
|
3.9
|
7.0
|
0.1
|
W37
|
A:IR0101
|
4.0
|
9.1
|
0.1
|
O42
|
A:IR0101
|
4.0
|
8.0
|
0.1
|
O3
|
A:IR0101
|
4.0
|
6.8
|
0.1
|
O155
|
A:IR0101
|
4.1
|
7.5
|
0.1
|
O6
|
A:IR0101
|
4.3
|
7.2
|
0.1
|
O138
|
A:IR0101
|
4.4
|
7.8
|
0.1
|
O92
|
A:IR0101
|
4.4
|
7.5
|
0.1
|
O131
|
A:IR0101
|
4.4
|
7.1
|
0.1
|
O122
|
A:IR0101
|
4.5
|
7.1
|
0.1
|
O98
|
A:IR0101
|
4.6
|
7.5
|
0.1
|
W13
|
A:IR0101
|
4.6
|
4.8
|
0.1
|
O51
|
A:IR0101
|
4.6
|
7.4
|
0.1
|
O11
|
A:IR0101
|
4.7
|
6.9
|
0.1
|
O162
|
A:IR0101
|
4.7
|
7.4
|
0.1
|
O178
|
A:IR0101
|
4.7
|
8.1
|
0.1
|
O13
|
A:IR0101
|
4.7
|
7.2
|
0.1
|
O107
|
A:IR0101
|
4.7
|
7.5
|
0.1
|
O59
|
A:IR0101
|
4.8
|
7.7
|
0.1
|
O123
|
A:IR0101
|
4.9
|
6.9
|
0.1
|
|
Tungsten binding site 7 out
of 96 in 8pro
Go back to
Tungsten Binding Sites List in 8pro
Tungsten binding site 7 out
of 96 in the The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
Mono view
Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 7 of The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W101
b:7.6
occ:0.06
|
W12
|
A:IR0101
|
0.0
|
7.6
|
0.1
|
O37
|
A:IR0101
|
0.6
|
7.3
|
0.1
|
W20
|
A:IR0101
|
1.5
|
8.7
|
0.1
|
O133
|
A:IR0101
|
1.7
|
7.0
|
0.1
|
O149
|
A:IR0101
|
1.7
|
8.5
|
0.1
|
O85
|
A:IR0101
|
1.9
|
7.5
|
0.1
|
O53
|
A:IR0101
|
2.0
|
7.2
|
0.1
|
O61
|
A:IR0101
|
2.1
|
7.7
|
0.1
|
O13
|
A:IR0101
|
2.2
|
6.9
|
0.1
|
O157
|
A:IR0101
|
2.3
|
7.4
|
0.1
|
O69
|
A:IR0101
|
2.4
|
7.8
|
0.1
|
O93
|
A:IR0101
|
2.5
|
6.9
|
0.1
|
W4
|
A:IR0101
|
2.5
|
12.8
|
0.1
|
O18
|
A:IR0101
|
2.9
|
7.3
|
0.1
|
O45
|
A:IR0101
|
3.0
|
7.7
|
0.1
|
O141
|
A:IR0101
|
3.1
|
7.7
|
0.1
|
O125
|
A:IR0101
|
3.3
|
7.3
|
0.1
|
O4
|
A:IR0101
|
3.3
|
6.9
|
0.1
|
P6
|
A:IR0101
|
3.4
|
6.9
|
0.1
|
O106
|
A:IR0101
|
3.4
|
7.4
|
0.1
|
P2
|
A:IR0101
|
3.6
|
7.0
|
0.1
|
W29
|
A:IR0101
|
3.7
|
6.9
|
0.1
|
W36
|
A:IR0101
|
3.8
|
11.5
|
0.1
|
W4
|
A:IR0101
|
3.8
|
7.2
|
0.1
|
O77
|
A:IR0101
|
3.8
|
7.0
|
0.1
|
W44
|
A:IR0101
|
3.8
|
8.4
|
0.1
|
O23
|
A:IR0101
|
3.9
|
7.0
|
0.1
|
O30
|
A:IR0101
|
3.9
|
7.1
|
0.1
|
O26
|
A:IR0101
|
4.1
|
7.5
|
0.1
|
O4
|
A:IR0101
|
4.1
|
7.0
|
0.1
|
O45
|
A:IR0101
|
4.1
|
7.8
|
0.1
|
O141
|
A:IR0101
|
4.2
|
9.0
|
0.1
|
W32
|
A:IR0101
|
4.2
|
5.4
|
0.1
|
O54
|
A:IR0101
|
4.3
|
7.0
|
0.1
|
O85
|
A:IR0101
|
4.4
|
7.2
|
0.1
|
O173
|
A:IR0101
|
4.4
|
7.9
|
0.1
|
O125
|
A:IR0101
|
4.4
|
7.2
|
0.1
|
O167
|
A:IR0101
|
4.5
|
8.0
|
0.1
|
O94
|
A:IR0101
|
4.5
|
7.5
|
0.1
|
O12
|
A:IR0101
|
4.6
|
7.0
|
0.1
|
W19
|
A:IR0101
|
4.6
|
11.0
|
0.1
|
O101
|
A:IR0101
|
4.7
|
7.0
|
0.1
|
O134
|
A:IR0101
|
4.7
|
6.8
|
0.1
|
O165
|
A:IR0101
|
4.7
|
7.6
|
0.1
|
O181
|
A:IR0101
|
4.8
|
8.1
|
0.1
|
O91
|
A:IR0101
|
4.8
|
7.0
|
0.1
|
O66
|
A:IR0101
|
4.9
|
7.9
|
0.1
|
O3
|
A:IR0101
|
5.0
|
6.8
|
0.1
|
O24
|
A:IR0101
|
5.0
|
7.0
|
0.1
|
|
Tungsten binding site 8 out
of 96 in 8pro
Go back to
Tungsten Binding Sites List in 8pro
Tungsten binding site 8 out
of 96 in the The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
Mono view
Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 8 of The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W101
b:9.3
occ:0.06
|
W12
|
A:IR0101
|
0.0
|
9.3
|
0.1
|
W6
|
A:IR0101
|
0.7
|
6.5
|
0.1
|
O144
|
A:IR0101
|
1.4
|
7.9
|
0.1
|
O128
|
A:IR0101
|
1.5
|
7.0
|
0.1
|
O133
|
A:IR0101
|
1.7
|
7.8
|
0.1
|
O149
|
A:IR0101
|
1.8
|
8.1
|
0.1
|
O88
|
A:IR0101
|
1.9
|
6.8
|
0.1
|
O85
|
A:IR0101
|
1.9
|
7.2
|
0.1
|
O53
|
A:IR0101
|
2.0
|
7.5
|
0.1
|
O61
|
A:IR0101
|
2.1
|
7.4
|
0.1
|
O13
|
A:IR0101
|
2.2
|
7.2
|
0.1
|
O40
|
A:IR0101
|
2.4
|
7.2
|
0.1
|
O48
|
A:IR0101
|
2.6
|
8.1
|
0.1
|
O6
|
A:IR0101
|
2.7
|
7.2
|
0.1
|
P6
|
A:IR0101
|
3.5
|
7.4
|
0.1
|
W14
|
A:IR0101
|
3.7
|
6.0
|
0.1
|
W29
|
A:IR0101
|
3.7
|
7.1
|
0.1
|
O77
|
A:IR0101
|
3.8
|
7.2
|
0.1
|
W4
|
A:IR0101
|
3.8
|
12.8
|
0.1
|
W44
|
A:IR0101
|
3.8
|
14.6
|
0.1
|
O23
|
A:IR0101
|
3.9
|
7.0
|
0.1
|
O152
|
A:IR0101
|
3.9
|
7.8
|
0.1
|
O30
|
A:IR0101
|
4.0
|
7.5
|
0.1
|
P3
|
A:IR0101
|
4.0
|
7.1
|
0.1
|
O45
|
A:IR0101
|
4.0
|
7.7
|
0.1
|
O136
|
A:IR0101
|
4.1
|
7.8
|
0.1
|
O141
|
A:IR0101
|
4.2
|
7.7
|
0.1
|
W22
|
A:IR0101
|
4.2
|
6.7
|
0.1
|
O4
|
A:IR0101
|
4.3
|
6.9
|
0.1
|
O15
|
A:IR0101
|
4.3
|
6.9
|
0.1
|
O64
|
A:IR0101
|
4.3
|
7.8
|
0.1
|
O72
|
A:IR0101
|
4.4
|
7.3
|
0.1
|
O19
|
A:IR0101
|
4.4
|
7.0
|
0.1
|
W38
|
A:IR0101
|
4.4
|
9.3
|
0.1
|
O94
|
A:IR0101
|
4.4
|
7.6
|
0.1
|
O125
|
A:IR0101
|
4.5
|
7.3
|
0.1
|
O27
|
A:IR0101
|
4.6
|
7.3
|
0.1
|
O101
|
A:IR0101
|
4.7
|
7.3
|
0.1
|
O165
|
A:IR0101
|
4.7
|
8.4
|
0.1
|
O181
|
A:IR0101
|
4.7
|
8.5
|
0.1
|
O12
|
A:IR0101
|
4.8
|
7.2
|
0.1
|
O128
|
A:IR0101
|
4.8
|
7.3
|
0.1
|
O94
|
A:IR0101
|
4.8
|
7.5
|
0.1
|
O133
|
A:IR0101
|
4.9
|
7.0
|
0.1
|
|
Tungsten binding site 9 out
of 96 in 8pro
Go back to
Tungsten Binding Sites List in 8pro
Tungsten binding site 9 out
of 96 in the The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
Mono view
Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 9 of The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W101
b:4.8
occ:0.06
|
W13
|
A:IR0101
|
0.0
|
4.8
|
0.1
|
O35
|
A:IR0101
|
1.3
|
7.1
|
0.1
|
W5
|
A:IR0101
|
1.7
|
5.6
|
0.1
|
O130
|
A:IR0101
|
1.7
|
6.8
|
0.1
|
O147
|
A:IR0101
|
1.7
|
7.8
|
0.1
|
O123
|
A:IR0101
|
1.7
|
6.9
|
0.1
|
O83
|
A:IR0101
|
1.9
|
7.0
|
0.1
|
O50
|
A:IR0101
|
2.0
|
7.3
|
0.1
|
O59
|
A:IR0101
|
2.1
|
7.7
|
0.1
|
O11
|
A:IR0101
|
2.2
|
6.9
|
0.1
|
O139
|
A:IR0101
|
2.3
|
7.9
|
0.1
|
O5
|
A:IR0101
|
2.9
|
6.9
|
0.1
|
W21
|
A:IR0101
|
3.0
|
6.5
|
0.1
|
O92
|
A:IR0101
|
3.2
|
7.5
|
0.1
|
O43
|
A:IR0101
|
3.3
|
7.3
|
0.1
|
O131
|
A:IR0101
|
3.4
|
7.5
|
0.1
|
P7
|
A:IR0101
|
3.4
|
6.6
|
0.1
|
O83
|
A:IR0101
|
3.5
|
7.1
|
0.1
|
O19
|
A:IR0101
|
3.6
|
7.0
|
0.1
|
W27
|
A:IR0101
|
3.7
|
11.2
|
0.1
|
W5
|
A:IR0101
|
3.8
|
7.8
|
0.1
|
O75
|
A:IR0101
|
3.8
|
7.2
|
0.1
|
O22
|
A:IR0101
|
3.8
|
7.2
|
0.1
|
W45
|
A:IR0101
|
3.8
|
9.5
|
0.1
|
O155
|
A:IR0101
|
3.8
|
7.4
|
0.1
|
P3
|
A:IR0101
|
3.9
|
7.1
|
0.1
|
O51
|
A:IR0101
|
3.9
|
8.0
|
0.1
|
O31
|
A:IR0101
|
3.9
|
7.2
|
0.1
|
O67
|
A:IR0101
|
3.9
|
7.1
|
0.1
|
O5
|
A:IR0101
|
4.0
|
6.9
|
0.1
|
O43
|
A:IR0101
|
4.1
|
7.7
|
0.1
|
O89
|
A:IR0101
|
4.3
|
7.4
|
0.1
|
O123
|
A:IR0101
|
4.4
|
6.9
|
0.1
|
O139
|
A:IR0101
|
4.5
|
8.3
|
0.1
|
O15
|
A:IR0101
|
4.6
|
6.9
|
0.1
|
W11
|
A:IR0101
|
4.6
|
9.3
|
0.1
|
W28
|
A:IR0101
|
4.6
|
6.4
|
0.1
|
O99
|
A:IR0101
|
4.6
|
7.2
|
0.1
|
O27
|
A:IR0101
|
4.7
|
7.3
|
0.1
|
O163
|
A:IR0101
|
4.7
|
8.0
|
0.1
|
W37
|
A:IR0101
|
4.7
|
7.3
|
0.1
|
O179
|
A:IR0101
|
4.8
|
7.7
|
0.1
|
O107
|
A:IR0101
|
4.8
|
6.8
|
0.1
|
O12
|
A:IR0101
|
4.9
|
7.2
|
0.1
|
|
Tungsten binding site 10 out
of 96 in 8pro
Go back to
Tungsten Binding Sites List in 8pro
Tungsten binding site 10 out
of 96 in the The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate
Mono view
Stereo pair view
|
A full contact list of Tungsten with other atoms in the W binding
site number 10 of The Structure of NVBAGEL2 Binding the P8W48O184 Polyoxometalate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:W101
b:5.3
occ:0.06
|
W13
|
A:IR0101
|
0.0
|
5.3
|
0.1
|
W1
|
A:IR0101
|
1.1
|
7.1
|
0.1
|
O33
|
A:IR0101
|
1.2
|
7.6
|
0.1
|
O121
|
A:IR0101
|
1.7
|
7.3
|
0.1
|
O130
|
A:IR0101
|
1.7
|
6.7
|
0.1
|
O147
|
A:IR0101
|
1.8
|
8.0
|
0.1
|
O83
|
A:IR0101
|
1.9
|
7.1
|
0.1
|
O137
|
A:IR0101
|
1.9
|
8.0
|
0.1
|
O50
|
A:IR0101
|
2.0
|
7.8
|
0.1
|
O59
|
A:IR0101
|
2.1
|
7.7
|
0.1
|
O11
|
A:IR0101
|
2.2
|
6.9
|
0.1
|
O1
|
A:IR0101
|
2.6
|
6.8
|
0.1
|
O41
|
A:IR0101
|
2.7
|
7.9
|
0.1
|
O81
|
A:IR0101
|
2.9
|
6.9
|
0.1
|
W17
|
A:IR0101
|
3.1
|
9.2
|
0.1
|
P7
|
A:IR0101
|
3.4
|
7.0
|
0.1
|
O65
|
A:IR0101
|
3.6
|
7.6
|
0.1
|
O17
|
A:IR0101
|
3.6
|
7.2
|
0.1
|
P1
|
A:IR0101
|
3.6
|
7.2
|
0.1
|
W27
|
A:IR0101
|
3.8
|
5.4
|
0.1
|
O89
|
A:IR0101
|
3.8
|
7.4
|
0.1
|
W5
|
A:IR0101
|
3.8
|
5.6
|
0.1
|
W45
|
A:IR0101
|
3.8
|
6.3
|
0.1
|
O75
|
A:IR0101
|
3.8
|
7.0
|
0.1
|
O22
|
A:IR0101
|
3.9
|
7.0
|
0.1
|
O31
|
A:IR0101
|
3.9
|
7.3
|
0.1
|
O153
|
A:IR0101
|
4.0
|
7.7
|
0.1
|
O43
|
A:IR0101
|
4.0
|
7.3
|
0.1
|
O5
|
A:IR0101
|
4.1
|
6.9
|
0.1
|
W33
|
A:IR0101
|
4.2
|
11.0
|
0.1
|
O130
|
A:IR0101
|
4.3
|
6.8
|
0.1
|
O25
|
A:IR0101
|
4.3
|
7.0
|
0.1
|
O139
|
A:IR0101
|
4.4
|
7.9
|
0.1
|
O123
|
A:IR0101
|
4.5
|
6.9
|
0.1
|
O89
|
A:IR0101
|
4.5
|
7.4
|
0.1
|
O15
|
A:IR0101
|
4.6
|
6.9
|
0.1
|
O99
|
A:IR0101
|
4.6
|
7.5
|
0.1
|
O50
|
A:IR0101
|
4.7
|
7.3
|
0.1
|
O163
|
A:IR0101
|
4.7
|
7.3
|
0.1
|
O179
|
A:IR0101
|
4.8
|
8.7
|
0.1
|
W9
|
A:IR0101
|
4.8
|
6.2
|
0.1
|
O121
|
A:IR0101
|
4.9
|
7.1
|
0.1
|
O2
|
A:IR0101
|
4.9
|
6.8
|
0.1
|
O105
|
A:IR0101
|
4.9
|
8.1
|
0.1
|
|
Reference:
L.Vandebroek,
A.R.D.Voet,
X.Y.Lee.
The Structure of V13BAGEL2 To Be Published.
Page generated: Sat Oct 12 15:57:38 2024
|