Magnesium in PDB 4xnr: Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine
Protein crystallography data
The structure of Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine, PDB code: 4xnr
was solved by
J.Zhang,
Y.Liu,
Y.-X.Wang,
A.R.Ferre-D'amare,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
47.13 /
2.21
|
Space group
|
P 21 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
49.482,
154.682,
25.178,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
20 /
22
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine
(pdb code 4xnr). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 6 binding sites of Magnesium where determined in the
Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine, PDB code: 4xnr:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
Magnesium binding site 1 out
of 6 in 4xnr
Go back to
Magnesium Binding Sites List in 4xnr
Magnesium binding site 1 out
of 6 in the Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg102
b:72.3
occ:1.00
|
O
|
X:HOH243
|
2.1
|
56.9
|
1.0
|
O
|
X:HOH238
|
2.3
|
40.0
|
1.0
|
O
|
X:HOH224
|
2.3
|
36.2
|
1.0
|
OP2
|
X:A45
|
3.8
|
54.3
|
1.0
|
O
|
X:HOH221
|
4.4
|
40.3
|
1.0
|
N7
|
X:G46
|
4.5
|
44.7
|
1.0
|
O4
|
X:U47
|
4.6
|
46.2
|
1.0
|
O6
|
X:G46
|
4.6
|
41.1
|
1.0
|
|
Magnesium binding site 2 out
of 6 in 4xnr
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Magnesium Binding Sites List in 4xnr
Magnesium binding site 2 out
of 6 in the Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg103
b:68.2
occ:1.00
|
O
|
X:HOH260
|
2.1
|
74.9
|
1.0
|
OP1
|
X:A24
|
2.1
|
47.0
|
1.0
|
O
|
X:HOH226
|
2.1
|
49.9
|
1.0
|
O
|
X:HOH225
|
2.1
|
45.6
|
1.0
|
O
|
X:HOH227
|
2.2
|
44.5
|
1.0
|
O
|
X:HOH228
|
2.2
|
46.3
|
1.0
|
P
|
X:A24
|
3.6
|
46.1
|
1.0
|
O
|
X:HOH252
|
4.0
|
36.9
|
1.0
|
O
|
X:HOH253
|
4.1
|
44.4
|
1.0
|
O5'
|
X:A24
|
4.3
|
44.4
|
1.0
|
N7
|
X:A24
|
4.3
|
45.4
|
1.0
|
N7
|
X:G72
|
4.4
|
51.8
|
1.0
|
O3'
|
X:A23
|
4.4
|
46.9
|
1.0
|
C8
|
X:A24
|
4.4
|
43.6
|
1.0
|
O6
|
X:G72
|
4.5
|
49.3
|
1.0
|
OP2
|
X:A24
|
4.5
|
46.9
|
1.0
|
O
|
X:HOH261
|
4.6
|
52.8
|
1.0
|
O
|
X:HOH263
|
4.6
|
48.9
|
1.0
|
|
Magnesium binding site 3 out
of 6 in 4xnr
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Magnesium Binding Sites List in 4xnr
Magnesium binding site 3 out
of 6 in the Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg104
b:55.2
occ:1.00
|
O2
|
X:U47
|
2.6
|
44.4
|
1.0
|
N4
|
X:C50
|
2.8
|
46.2
|
1.0
|
C2
|
X:U49
|
3.1
|
55.9
|
1.0
|
N3
|
X:U49
|
3.1
|
55.4
|
1.0
|
N9
|
X:ADE101
|
3.2
|
45.0
|
1.0
|
N3
|
X:A21
|
3.3
|
47.1
|
1.0
|
O2
|
X:U49
|
3.4
|
56.2
|
1.0
|
C8
|
X:ADE101
|
3.5
|
43.8
|
1.0
|
N1
|
X:U49
|
3.5
|
56.6
|
1.0
|
C4
|
X:U49
|
3.7
|
55.6
|
1.0
|
C4
|
X:C50
|
3.7
|
48.4
|
1.0
|
C2
|
X:A21
|
3.7
|
47.4
|
1.0
|
C5
|
X:C50
|
3.8
|
49.6
|
1.0
|
C2
|
X:U47
|
3.8
|
45.5
|
1.0
|
O2'
|
X:U49
|
3.8
|
55.1
|
1.0
|
O4
|
X:U51
|
3.9
|
44.6
|
1.0
|
C6
|
X:U49
|
4.0
|
56.5
|
1.0
|
C4
|
X:ADE101
|
4.0
|
43.7
|
1.0
|
C5
|
X:U49
|
4.1
|
56.0
|
1.0
|
C1'
|
X:U49
|
4.3
|
58.2
|
1.0
|
O4
|
X:U49
|
4.3
|
56.0
|
1.0
|
O2'
|
X:A21
|
4.4
|
47.2
|
1.0
|
N7
|
X:ADE101
|
4.4
|
42.1
|
1.0
|
N3
|
X:A76
|
4.4
|
53.4
|
1.0
|
N3
|
X:U47
|
4.4
|
44.9
|
1.0
|
C2'
|
X:U49
|
4.5
|
57.4
|
1.0
|
C4
|
X:A21
|
4.5
|
47.4
|
1.0
|
C4
|
X:U51
|
4.6
|
45.3
|
1.0
|
O2
|
X:U75
|
4.6
|
44.7
|
1.0
|
C5
|
X:ADE101
|
4.7
|
41.9
|
1.0
|
N3
|
X:ADE101
|
4.7
|
44.0
|
1.0
|
C1'
|
X:A21
|
4.7
|
48.4
|
1.0
|
N3
|
X:U51
|
4.8
|
44.7
|
1.0
|
N1
|
X:U47
|
4.9
|
47.6
|
1.0
|
C2
|
X:A76
|
4.9
|
54.0
|
1.0
|
N3
|
X:C50
|
4.9
|
50.4
|
1.0
|
C1'
|
X:U47
|
4.9
|
49.1
|
1.0
|
C4
|
X:A76
|
4.9
|
54.0
|
1.0
|
C2'
|
X:A21
|
5.0
|
47.4
|
1.0
|
|
Magnesium binding site 4 out
of 6 in 4xnr
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Magnesium Binding Sites List in 4xnr
Magnesium binding site 4 out
of 6 in the Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg105
b:83.8
occ:1.00
|
O
|
X:HOH231
|
2.2
|
83.7
|
1.0
|
O
|
X:HOH257
|
2.3
|
69.5
|
1.0
|
O
|
X:HOH229
|
2.4
|
62.3
|
1.0
|
O
|
X:HOH230
|
2.4
|
49.4
|
1.0
|
O
|
X:HOH234
|
4.4
|
43.3
|
1.0
|
O6
|
X:G44
|
4.6
|
44.2
|
1.0
|
N7
|
X:G43
|
4.7
|
47.0
|
1.0
|
O
|
X:HOH258
|
4.8
|
64.7
|
1.0
|
O6
|
X:G43
|
4.8
|
44.0
|
1.0
|
N7
|
X:G44
|
4.9
|
46.8
|
1.0
|
|
Magnesium binding site 5 out
of 6 in 4xnr
Go back to
Magnesium Binding Sites List in 4xnr
Magnesium binding site 5 out
of 6 in the Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg106
b:82.4
occ:1.00
|
O
|
X:HOH244
|
2.1
|
52.5
|
1.0
|
O
|
X:HOH237
|
2.2
|
44.1
|
1.0
|
O
|
X:HOH255
|
2.4
|
87.3
|
1.0
|
O
|
X:HOH223
|
2.6
|
42.8
|
1.0
|
OP2
|
X:A23
|
3.0
|
51.4
|
1.0
|
O
|
X:HOH262
|
3.9
|
56.3
|
1.0
|
N6
|
X:A21
|
4.3
|
49.9
|
1.0
|
P
|
X:A23
|
4.3
|
50.0
|
1.0
|
O3'
|
X:U22
|
4.4
|
47.8
|
1.0
|
N6
|
X:ADE101
|
4.6
|
36.6
|
1.0
|
O4
|
X:U74
|
4.8
|
51.5
|
1.0
|
O2'
|
X:U22
|
4.8
|
46.4
|
1.0
|
N7
|
X:A21
|
5.0
|
47.4
|
1.0
|
|
Magnesium binding site 6 out
of 6 in 4xnr
Go back to
Magnesium Binding Sites List in 4xnr
Magnesium binding site 6 out
of 6 in the Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine
 Mono view
 Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of Vibrio Vulnificus Adenine Riboswitch Aptamer Domain, Synthesized By Position-Selective Labeling of Rna (Plor), in Complex with Adenine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
X:Mg107
b:0.1
occ:1.00
|
O
|
X:HOH218
|
2.1
|
72.1
|
1.0
|
O
|
X:HOH208
|
2.2
|
74.8
|
1.0
|
O
|
X:HOH210
|
2.2
|
66.7
|
1.0
|
O
|
X:HOH212
|
4.1
|
51.4
|
1.0
|
O6
|
X:G32
|
4.1
|
49.7
|
1.0
|
N7
|
X:G32
|
4.5
|
50.4
|
1.0
|
O
|
X:HOH235
|
4.5
|
60.5
|
1.0
|
O4
|
X:U31
|
4.6
|
50.9
|
1.0
|
C5
|
X:U31
|
4.9
|
51.9
|
1.0
|
C6
|
X:G32
|
4.9
|
49.5
|
1.0
|
C4
|
X:U31
|
4.9
|
51.3
|
1.0
|
|
Reference:
Y.Liu,
E.Holmstrom,
J.Zhang,
P.Yu,
J.Wang,
M.A.Dyba,
J.Ying,
S.Lockett,
D.J.Nesbitt,
A.R.Ferre-D'amare,
R.Sousa,
J.R.Stagno,
Y.X.Wang.
Synthesis and Applications of Rnas with Position-Selective Labelling and Mosaic Composition. Nature 2015.
ISSN: ESSN 1476-4687
PubMed: 25938715
DOI: 10.1038/NATURE14352
Page generated: Tue Aug 20 15:34:46 2024
|