Magnesium in PDB 8xzm: Crystal Structure of Fole Riboswitch with Dhn
Protein crystallography data
The structure of Crystal Structure of Fole Riboswitch with Dhn, PDB code: 8xzm
was solved by
C.Y.Li,
A.M.Ren,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
28.54 /
1.98
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
48.808,
57.085,
63.422,
90,
90,
90
|
R / Rfree (%)
|
20.8 /
23.8
|
Magnesium Binding Sites:
The binding sites of Magnesium atom in the Crystal Structure of Fole Riboswitch with Dhn
(pdb code 8xzm). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the
Crystal Structure of Fole Riboswitch with Dhn, PDB code: 8xzm:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
Magnesium binding site 1 out
of 5 in 8xzm
Go back to
Magnesium Binding Sites List in 8xzm
Magnesium binding site 1 out
of 5 in the Crystal Structure of Fole Riboswitch with Dhn
![](/pictures/MG/pdb/xz/8xzm-MG-sphere_01.jpg) Mono view
![](/pictures/MG/pdb/xz/8xzm-MG-sphere_01_stereo.jpg) Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of Crystal Structure of Fole Riboswitch with Dhn within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg101
b:65.6
occ:1.00
|
O3'
|
A:U53
|
1.9
|
66.7
|
1.0
|
O2'
|
A:U53
|
2.1
|
62.9
|
1.0
|
O
|
A:HOH202
|
2.1
|
60.2
|
1.0
|
C3'
|
A:U53
|
2.4
|
61.7
|
1.0
|
C2'
|
A:U53
|
2.6
|
57.5
|
1.0
|
C1'
|
A:U53
|
3.9
|
60.7
|
1.0
|
C4'
|
A:U53
|
3.9
|
57.8
|
1.0
|
O4'
|
A:U53
|
4.5
|
56.5
|
1.0
|
O
|
A:HOH233
|
4.8
|
58.2
|
1.0
|
C5'
|
A:U53
|
5.0
|
55.1
|
1.0
|
N1
|
A:U53
|
5.0
|
57.0
|
1.0
|
|
Magnesium binding site 2 out
of 5 in 8xzm
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Magnesium Binding Sites List in 8xzm
Magnesium binding site 2 out
of 5 in the Crystal Structure of Fole Riboswitch with Dhn
![](/pictures/MG/pdb/xz/8xzm-MG-sphere_02.jpg) Mono view
![](/pictures/MG/pdb/xz/8xzm-MG-sphere_02_stereo.jpg) Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of Crystal Structure of Fole Riboswitch with Dhn within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg102
b:58.1
occ:1.00
|
O
|
A:HOH229
|
1.9
|
52.3
|
1.0
|
O
|
A:HOH214
|
2.5
|
46.0
|
1.0
|
OP2
|
A:G45
|
3.5
|
39.0
|
1.0
|
OP2
|
A:G44
|
3.6
|
36.8
|
1.0
|
O
|
A:HOH226
|
3.7
|
47.0
|
1.0
|
O6
|
A:G46
|
3.7
|
40.0
|
1.0
|
O
|
A:HOH227
|
4.0
|
44.4
|
1.0
|
N7
|
A:G7
|
4.3
|
37.6
|
1.0
|
O5'
|
A:G44
|
4.3
|
39.2
|
1.0
|
O6
|
A:G7
|
4.5
|
39.5
|
1.0
|
O
|
A:HOH219
|
4.5
|
46.0
|
1.0
|
P
|
A:G44
|
4.6
|
40.9
|
1.0
|
C6
|
A:G46
|
4.7
|
41.0
|
1.0
|
C8
|
A:G44
|
4.7
|
36.6
|
1.0
|
N7
|
A:G44
|
4.7
|
39.2
|
1.0
|
N7
|
A:G46
|
4.8
|
39.5
|
1.0
|
C5
|
A:G7
|
4.8
|
38.4
|
1.0
|
N7
|
A:G45
|
4.8
|
38.7
|
1.0
|
C6
|
A:G7
|
4.8
|
41.5
|
1.0
|
P
|
A:G45
|
4.9
|
44.1
|
1.0
|
|
Magnesium binding site 3 out
of 5 in 8xzm
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Magnesium Binding Sites List in 8xzm
Magnesium binding site 3 out
of 5 in the Crystal Structure of Fole Riboswitch with Dhn
![](/pictures/MG/pdb/xz/8xzm-MG-sphere_03.jpg) Mono view
![](/pictures/MG/pdb/xz/8xzm-MG-sphere_03_stereo.jpg) Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of Crystal Structure of Fole Riboswitch with Dhn within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg103
b:54.6
occ:1.00
|
O
|
A:HOH221
|
2.6
|
49.8
|
1.0
|
O6
|
A:G7
|
2.7
|
39.5
|
1.0
|
O4
|
A:U6
|
2.8
|
41.9
|
1.0
|
C6
|
A:G7
|
3.5
|
41.5
|
1.0
|
O
|
A:HOH206
|
3.6
|
49.9
|
1.0
|
C4
|
A:U6
|
3.8
|
38.9
|
1.0
|
N1
|
A:G7
|
3.9
|
40.8
|
1.0
|
O
|
A:HOH230
|
4.0
|
40.7
|
1.0
|
O
|
A:HOH205
|
4.1
|
47.6
|
1.0
|
C5
|
A:U6
|
4.2
|
37.4
|
1.0
|
C5
|
A:G7
|
4.6
|
38.4
|
1.0
|
N7
|
A:G5
|
4.7
|
41.7
|
1.0
|
|
Magnesium binding site 4 out
of 5 in 8xzm
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Magnesium Binding Sites List in 8xzm
Magnesium binding site 4 out
of 5 in the Crystal Structure of Fole Riboswitch with Dhn
![](/pictures/MG/pdb/xz/8xzm-MG-sphere_04.jpg) Mono view
![](/pictures/MG/pdb/xz/8xzm-MG-sphere_04_stereo.jpg) Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of Crystal Structure of Fole Riboswitch with Dhn within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg104
b:60.7
occ:1.00
|
O
|
A:HOH227
|
2.1
|
44.4
|
1.0
|
O
|
A:HOH219
|
2.3
|
46.0
|
1.0
|
O
|
A:HOH226
|
2.3
|
47.0
|
1.0
|
OP2
|
A:U8
|
4.0
|
40.8
|
1.0
|
O
|
A:HOH229
|
4.1
|
52.3
|
1.0
|
O6
|
A:G46
|
4.4
|
40.0
|
1.0
|
O6
|
A:G44
|
4.4
|
40.2
|
1.0
|
N4
|
A:C43
|
4.7
|
36.1
|
1.0
|
N7
|
A:G44
|
4.8
|
39.2
|
1.0
|
N1
|
A:G46
|
4.8
|
42.0
|
1.0
|
C5
|
A:C43
|
4.8
|
37.7
|
1.0
|
OP1
|
A:U8
|
4.9
|
39.6
|
1.0
|
P
|
A:U8
|
4.9
|
42.6
|
1.0
|
C6
|
A:G46
|
4.9
|
41.0
|
1.0
|
O6
|
A:G45
|
5.0
|
43.8
|
1.0
|
|
Magnesium binding site 5 out
of 5 in 8xzm
Go back to
Magnesium Binding Sites List in 8xzm
Magnesium binding site 5 out
of 5 in the Crystal Structure of Fole Riboswitch with Dhn
![](/pictures/MG/pdb/xz/8xzm-MG-sphere_05.jpg) Mono view
![](/pictures/MG/pdb/xz/8xzm-MG-sphere_05_stereo.jpg) Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of Crystal Structure of Fole Riboswitch with Dhn within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg105
b:51.0
occ:1.00
|
O
|
A:HOH224
|
2.6
|
47.1
|
1.0
|
O4
|
A:U22
|
2.6
|
39.7
|
1.0
|
O
|
A:HOH218
|
2.7
|
41.3
|
1.0
|
O
|
A:HOH231
|
2.8
|
54.8
|
1.0
|
C4
|
A:U22
|
3.6
|
38.6
|
1.0
|
N4
|
A:C23
|
4.0
|
35.8
|
1.0
|
C5
|
A:U22
|
4.0
|
35.1
|
1.0
|
O
|
A:HOH210
|
4.2
|
43.7
|
1.0
|
N6
|
A:A39
|
4.3
|
36.0
|
1.0
|
N7
|
A:G21
|
4.3
|
37.8
|
1.0
|
O6
|
A:G21
|
4.3
|
36.3
|
1.0
|
O6
|
A:G38
|
4.4
|
40.8
|
1.0
|
O
|
A:HOH211
|
4.6
|
45.9
|
1.0
|
C5
|
A:G21
|
4.7
|
35.0
|
1.0
|
C6
|
A:G21
|
4.8
|
35.8
|
1.0
|
N3
|
A:U22
|
4.8
|
35.6
|
1.0
|
|
Reference:
C.Li,
X.Xu,
Z.Geng,
L.Zheng,
Q.Song,
X.Shen,
J.Wu,
J.Zhao,
H.Li,
M.He,
X.Tai,
L.Zhang,
J.Ma,
Y.Dong,
A.Ren.
Structure-Based Characterization and Compound Identification of the Wild-Type Thf Class-II Riboswitch. Nucleic Acids Res. 2024.
ISSN: ESSN 1362-4962
PubMed: 38769061
DOI: 10.1093/NAR/GKAE377
Page generated: Sat Oct 5 07:49:36 2024
|