Magnesium in PDB 4en5: Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked
Protein crystallography data
The structure of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked, PDB code: 4en5
was solved by
A.M.Ren,
K.R.Rajashankar,
D.J.Patel,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
19.36 /
2.96
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
58.205,
77.287,
42.597,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.9 /
27.1
|
Other elements in 4en5:
The structure of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked
(pdb code 4en5). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the
Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked, PDB code: 4en5:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Magnesium binding site 1 out
of 9 in 4en5
Go back to
Magnesium Binding Sites List in 4en5
Magnesium binding site 1 out
of 9 in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg101
b:60.6
occ:1.00
|
O
|
A:HOH206
|
2.1
|
61.8
|
1.0
|
O
|
A:HOH204
|
2.1
|
70.8
|
1.0
|
O
|
A:HOH205
|
2.1
|
70.4
|
1.0
|
O6
|
A:G29
|
2.5
|
70.5
|
1.0
|
C6
|
A:G29
|
3.1
|
64.7
|
1.0
|
N7
|
A:G29
|
3.4
|
64.5
|
1.0
|
C5
|
A:G29
|
3.5
|
60.8
|
1.0
|
N1
|
A:G29
|
4.2
|
62.2
|
1.0
|
C8
|
A:G29
|
4.6
|
64.9
|
1.0
|
C4
|
A:G29
|
4.7
|
60.9
|
1.0
|
OP2
|
A:A31
|
4.8
|
62.0
|
1.0
|
|
Magnesium binding site 2 out
of 9 in 4en5
Go back to
Magnesium Binding Sites List in 4en5
Magnesium binding site 2 out
of 9 in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg102
b:60.4
occ:1.00
|
F
|
A:F110
|
1.8
|
67.4
|
1.0
|
OP2
|
A:G42
|
2.0
|
62.4
|
1.0
|
O
|
A:HOH217
|
2.0
|
57.6
|
1.0
|
OP1
|
A:U41
|
2.0
|
61.9
|
1.0
|
OP2
|
A:A6
|
2.1
|
66.5
|
1.0
|
OP2
|
A:U7
|
2.1
|
59.2
|
1.0
|
MG
|
A:MG103
|
2.7
|
61.7
|
1.0
|
P
|
A:G42
|
2.9
|
61.8
|
1.0
|
O
|
A:HOH215
|
3.0
|
60.5
|
1.0
|
O
|
A:HOH214
|
3.0
|
65.9
|
1.0
|
OP1
|
A:G42
|
3.1
|
64.8
|
1.0
|
P
|
A:A6
|
3.2
|
58.3
|
1.0
|
P
|
A:U7
|
3.2
|
56.2
|
1.0
|
OP1
|
A:A6
|
3.4
|
65.5
|
1.0
|
P
|
A:U41
|
3.4
|
56.5
|
1.0
|
MG
|
A:MG104
|
3.5
|
72.4
|
1.0
|
OP1
|
A:U7
|
3.5
|
67.2
|
1.0
|
O
|
A:HOH203
|
3.7
|
66.1
|
1.0
|
O3'
|
A:U41
|
3.7
|
66.3
|
1.0
|
C5'
|
A:U41
|
4.0
|
64.0
|
1.0
|
O5'
|
A:U41
|
4.0
|
61.0
|
1.0
|
O3'
|
A:A6
|
4.1
|
63.1
|
1.0
|
O3'
|
A:G5
|
4.2
|
67.1
|
1.0
|
C3'
|
A:U41
|
4.3
|
66.1
|
1.0
|
O5'
|
A:G42
|
4.3
|
68.9
|
1.0
|
OP2
|
A:U41
|
4.3
|
61.6
|
1.0
|
O5'
|
A:A6
|
4.3
|
60.9
|
1.0
|
C3'
|
A:A6
|
4.4
|
62.2
|
1.0
|
O5'
|
A:U7
|
4.4
|
56.5
|
1.0
|
O3'
|
A:A40
|
4.5
|
57.8
|
1.0
|
C4'
|
A:U41
|
4.6
|
65.6
|
1.0
|
N2
|
A:G39
|
4.7
|
61.5
|
1.0
|
C5'
|
A:G42
|
4.8
|
70.4
|
1.0
|
OP2
|
A:G8
|
4.8
|
60.2
|
1.0
|
TL
|
A:TL116
|
4.8
|
0.6
|
1.0
|
C5'
|
A:A6
|
4.9
|
65.7
|
1.0
|
|
Magnesium binding site 3 out
of 9 in 4en5
Go back to
Magnesium Binding Sites List in 4en5
Magnesium binding site 3 out
of 9 in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg103
b:61.7
occ:1.00
|
F
|
A:F110
|
1.8
|
67.4
|
1.0
|
O
|
A:HOH214
|
2.0
|
65.9
|
1.0
|
O
|
A:HOH215
|
2.1
|
60.5
|
1.0
|
O
|
A:HOH203
|
2.1
|
66.1
|
1.0
|
OP1
|
A:U7
|
2.2
|
67.2
|
1.0
|
OP2
|
A:G8
|
2.4
|
60.2
|
1.0
|
MG
|
A:MG102
|
2.7
|
60.4
|
1.0
|
MG
|
A:MG104
|
2.9
|
72.4
|
1.0
|
P
|
A:U7
|
3.0
|
56.2
|
1.0
|
OP2
|
A:U7
|
3.0
|
59.2
|
1.0
|
OP1
|
A:U41
|
3.5
|
61.9
|
1.0
|
P
|
A:G8
|
3.6
|
62.9
|
1.0
|
OP1
|
A:A6
|
3.7
|
65.5
|
1.0
|
O5'
|
A:U7
|
4.0
|
56.5
|
1.0
|
TL
|
A:TL116
|
4.0
|
0.6
|
1.0
|
OP1
|
A:G8
|
4.0
|
61.5
|
1.0
|
OP2
|
A:A6
|
4.0
|
66.5
|
1.0
|
OP1
|
A:G42
|
4.3
|
64.8
|
1.0
|
O3'
|
A:A6
|
4.3
|
63.1
|
1.0
|
OP2
|
A:G42
|
4.3
|
62.4
|
1.0
|
C5'
|
A:U41
|
4.4
|
64.0
|
1.0
|
P
|
A:A6
|
4.4
|
58.3
|
1.0
|
O
|
A:HOH217
|
4.5
|
57.6
|
1.0
|
O3'
|
A:U7
|
4.6
|
61.4
|
1.0
|
C3'
|
A:U7
|
4.6
|
59.0
|
1.0
|
P
|
A:G42
|
4.7
|
61.8
|
1.0
|
O5'
|
A:G8
|
4.7
|
60.5
|
1.0
|
P
|
A:U41
|
4.7
|
56.5
|
1.0
|
O3'
|
A:U41
|
4.8
|
66.3
|
1.0
|
O
|
A:HOH226
|
4.8
|
81.5
|
1.0
|
C5'
|
A:U7
|
4.8
|
61.2
|
1.0
|
O2'
|
A:A40
|
4.9
|
56.3
|
1.0
|
O3'
|
A:A40
|
4.9
|
57.8
|
1.0
|
O
|
A:HOH202
|
5.0
|
68.2
|
1.0
|
|
Magnesium binding site 4 out
of 9 in 4en5
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Magnesium Binding Sites List in 4en5
Magnesium binding site 4 out
of 9 in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg104
b:72.4
occ:1.00
|
F
|
A:F110
|
1.9
|
67.4
|
1.0
|
O
|
A:HOH214
|
2.1
|
65.9
|
1.0
|
O
|
A:HOH203
|
2.2
|
66.1
|
1.0
|
O
|
A:HOH226
|
2.2
|
81.5
|
1.0
|
OP1
|
A:G42
|
2.3
|
64.8
|
1.0
|
OP1
|
A:A6
|
2.3
|
65.5
|
1.0
|
MG
|
A:MG103
|
2.9
|
61.7
|
1.0
|
P
|
A:G42
|
3.3
|
61.8
|
1.0
|
MG
|
A:MG102
|
3.5
|
60.4
|
1.0
|
P
|
A:A6
|
3.5
|
58.3
|
1.0
|
O3'
|
A:U41
|
3.6
|
66.3
|
1.0
|
OP2
|
A:A6
|
3.9
|
66.5
|
1.0
|
OP2
|
A:G42
|
4.0
|
62.4
|
1.0
|
OP1
|
A:U7
|
4.0
|
67.2
|
1.0
|
O3'
|
A:G5
|
4.2
|
67.1
|
1.0
|
TL
|
A:TL116
|
4.3
|
0.6
|
1.0
|
O5'
|
A:G5
|
4.3
|
63.3
|
1.0
|
C3'
|
A:G5
|
4.3
|
72.4
|
1.0
|
OP2
|
A:G5
|
4.4
|
67.7
|
1.0
|
O
|
A:HOH215
|
4.7
|
60.5
|
1.0
|
O5'
|
A:G42
|
4.7
|
68.9
|
1.0
|
OP2
|
A:U7
|
4.7
|
59.2
|
1.0
|
O5'
|
A:A6
|
4.7
|
60.9
|
1.0
|
P
|
A:G5
|
4.8
|
64.2
|
1.0
|
C3'
|
A:U41
|
4.8
|
66.1
|
1.0
|
P
|
A:U7
|
4.9
|
56.2
|
1.0
|
TL
|
A:TL113
|
4.9
|
0.6
|
1.0
|
OP2
|
A:G8
|
4.9
|
60.2
|
1.0
|
|
Magnesium binding site 5 out
of 9 in 4en5
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Magnesium Binding Sites List in 4en5
Magnesium binding site 5 out
of 9 in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg105
b:78.8
occ:1.00
|
O
|
A:HOH216
|
2.1
|
77.2
|
1.0
|
O
|
A:HOH234
|
3.0
|
79.0
|
1.0
|
O6
|
A:G2
|
3.2
|
82.3
|
1.0
|
N7
|
A:G2
|
3.3
|
78.0
|
1.0
|
C6
|
A:G2
|
3.8
|
79.6
|
1.0
|
C5
|
A:G2
|
3.8
|
78.4
|
1.0
|
C8
|
A:G2
|
4.4
|
79.2
|
1.0
|
O
|
A:HOH233
|
4.9
|
98.5
|
1.0
|
|
Magnesium binding site 6 out
of 9 in 4en5
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Magnesium Binding Sites List in 4en5
Magnesium binding site 6 out
of 9 in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg106
b:53.5
occ:1.00
|
N7
|
A:G34
|
2.0
|
56.9
|
1.0
|
O
|
A:HOH208
|
2.1
|
67.1
|
1.0
|
O
|
A:HOH209
|
2.1
|
52.7
|
1.0
|
C8
|
A:G34
|
2.9
|
56.4
|
1.0
|
TL
|
A:TL115
|
3.1
|
0.1
|
1.0
|
C5
|
A:G34
|
3.1
|
53.7
|
1.0
|
N7
|
A:A33
|
3.5
|
55.1
|
1.0
|
C5
|
A:A33
|
3.6
|
55.1
|
1.0
|
O6
|
A:G34
|
3.6
|
58.0
|
1.0
|
C6
|
A:G34
|
3.7
|
54.5
|
1.0
|
C6
|
A:A33
|
3.9
|
53.0
|
1.0
|
C8
|
A:A33
|
4.0
|
53.4
|
1.0
|
N9
|
A:G34
|
4.1
|
54.8
|
1.0
|
N6
|
A:A33
|
4.1
|
51.1
|
1.0
|
C4
|
A:A33
|
4.1
|
54.1
|
1.0
|
C4
|
A:G34
|
4.2
|
54.9
|
1.0
|
N9
|
A:A33
|
4.4
|
53.5
|
1.0
|
O
|
A:HOH229
|
4.5
|
64.7
|
1.0
|
N1
|
A:A33
|
4.7
|
56.1
|
1.0
|
OP2
|
A:G34
|
4.7
|
59.2
|
1.0
|
O
|
A:HOH230
|
4.8
|
61.7
|
1.0
|
N7
|
A:G35
|
4.8
|
57.8
|
1.0
|
O6
|
A:G35
|
4.9
|
57.3
|
1.0
|
N3
|
A:A33
|
4.9
|
53.6
|
1.0
|
|
Magnesium binding site 7 out
of 9 in 4en5
Go back to
Magnesium Binding Sites List in 4en5
Magnesium binding site 7 out
of 9 in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg107
b:54.6
occ:1.00
|
O
|
A:HOH207
|
2.1
|
69.3
|
1.0
|
O6
|
A:G36
|
2.3
|
54.7
|
1.0
|
O
|
A:HOH229
|
2.7
|
64.7
|
1.0
|
O
|
A:HOH230
|
2.8
|
61.7
|
1.0
|
N7
|
A:G36
|
3.0
|
57.3
|
1.0
|
C6
|
A:G36
|
3.1
|
56.6
|
1.0
|
TL
|
A:TL115
|
3.2
|
0.1
|
1.0
|
C5
|
A:G36
|
3.4
|
57.2
|
1.0
|
O6
|
A:G35
|
3.4
|
57.3
|
1.0
|
C6
|
A:G35
|
4.0
|
56.5
|
1.0
|
C8
|
A:G36
|
4.3
|
57.5
|
1.0
|
N4
|
A:C37
|
4.3
|
59.5
|
1.0
|
N1
|
A:G36
|
4.5
|
56.4
|
1.0
|
C5
|
A:G35
|
4.5
|
56.4
|
1.0
|
N7
|
A:G35
|
4.6
|
57.8
|
1.0
|
C4
|
A:G36
|
4.8
|
57.0
|
1.0
|
N1
|
A:G35
|
4.8
|
55.8
|
1.0
|
N4
|
A:C26
|
5.0
|
58.4
|
1.0
|
|
Magnesium binding site 8 out
of 9 in 4en5
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Magnesium Binding Sites List in 4en5
Magnesium binding site 8 out
of 9 in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg108
b:77.4
occ:1.00
|
OP1
|
A:C50
|
3.1
|
88.5
|
1.0
|
N7
|
A:G52
|
3.3
|
79.3
|
1.0
|
O6
|
A:G52
|
3.8
|
76.1
|
1.0
|
C5
|
A:G52
|
4.2
|
77.0
|
1.0
|
C8
|
A:G52
|
4.2
|
78.8
|
1.0
|
P
|
A:C50
|
4.3
|
87.7
|
1.0
|
C6
|
A:G52
|
4.4
|
76.5
|
1.0
|
O5'
|
A:C50
|
4.6
|
76.2
|
1.0
|
OP2
|
A:C50
|
4.9
|
72.1
|
1.0
|
C5'
|
A:C50
|
5.0
|
75.2
|
1.0
|
|
Magnesium binding site 9 out
of 9 in 4en5
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Magnesium Binding Sites List in 4en5
Magnesium binding site 9 out
of 9 in the Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of Crystal Structure of Fluoride Riboswitch, Tl-Acetate Soaked within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg109
b:54.5
occ:1.00
|
O
|
A:HOH212
|
2.1
|
62.4
|
1.0
|
O
|
A:HOH210
|
2.1
|
55.4
|
1.0
|
O
|
A:HOH211
|
2.1
|
55.8
|
1.0
|
O
|
A:HOH213
|
2.1
|
56.1
|
1.0
|
OP2
|
A:A40
|
2.3
|
60.6
|
1.0
|
O5'
|
A:A40
|
2.5
|
56.7
|
1.0
|
P
|
A:A40
|
2.9
|
58.3
|
1.0
|
C5'
|
A:A40
|
3.8
|
58.1
|
1.0
|
OP1
|
A:A40
|
3.9
|
59.2
|
1.0
|
O4
|
A:U7
|
3.9
|
57.5
|
1.0
|
O4'
|
A:A40
|
4.0
|
51.2
|
1.0
|
O3'
|
A:G39
|
4.1
|
57.9
|
1.0
|
N1
|
A:A49
|
4.2
|
55.8
|
1.0
|
C3'
|
A:G39
|
4.3
|
62.7
|
1.0
|
C4'
|
A:A40
|
4.3
|
55.9
|
1.0
|
N6
|
A:A49
|
4.4
|
58.4
|
1.0
|
N3
|
A:C50
|
4.4
|
60.0
|
1.0
|
C6
|
A:A49
|
4.8
|
58.7
|
1.0
|
O2
|
A:C50
|
4.8
|
64.5
|
1.0
|
O5'
|
A:G39
|
4.9
|
63.7
|
1.0
|
C4
|
A:U7
|
5.0
|
55.4
|
1.0
|
O
|
A:HOH222
|
5.0
|
69.3
|
1.0
|
|
Reference:
A.Ren,
K.R.Rajashankar,
D.J.Patel.
Fluoride Ion Encapsulation By MG2+ Ions and Phosphates in A Fluoride Riboswitch. Nature V. 486 85 2012.
ISSN: ISSN 0028-0836
PubMed: 22678284
DOI: 10.1038/NATURE11152
Page generated: Fri Aug 16 14:32:05 2024
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