Magnesium in PDB 5ddp: L-Glutamine Riboswitch Bound with L-Glutamine
Protein crystallography data
The structure of L-Glutamine Riboswitch Bound with L-Glutamine, PDB code: 5ddp
was solved by
A.Ren,
D.J.Patel,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.99 /
2.30
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
60.648,
86.205,
60.713,
90.00,
100.04,
90.00
|
R / Rfree (%)
|
19 /
24.3
|
Other elements in 5ddp:
The structure of L-Glutamine Riboswitch Bound with L-Glutamine also contains other interesting chemical elements:
Magnesium Binding Sites:
The binding sites of Magnesium atom in the L-Glutamine Riboswitch Bound with L-Glutamine
(pdb code 5ddp). This binding sites where shown within
5.0 Angstroms radius around Magnesium atom.
In total 9 binding sites of Magnesium where determined in the
L-Glutamine Riboswitch Bound with L-Glutamine, PDB code: 5ddp:
Jump to Magnesium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Magnesium binding site 1 out
of 9 in 5ddp
Go back to
Magnesium Binding Sites List in 5ddp
Magnesium binding site 1 out
of 9 in the L-Glutamine Riboswitch Bound with L-Glutamine
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 1 of L-Glutamine Riboswitch Bound with L-Glutamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg102
b:34.3
occ:1.00
|
OXT
|
A:GLN101
|
1.9
|
25.2
|
1.0
|
O
|
A:HOH281
|
2.1
|
30.6
|
1.0
|
O
|
A:HOH237
|
2.1
|
27.5
|
1.0
|
O
|
A:HOH240
|
2.1
|
30.0
|
1.0
|
O
|
A:HOH285
|
2.1
|
31.3
|
1.0
|
O
|
A:HOH241
|
2.1
|
25.6
|
1.0
|
C
|
A:GLN101
|
2.9
|
29.7
|
1.0
|
O
|
A:GLN101
|
3.2
|
27.0
|
1.0
|
N2
|
A:G54
|
3.7
|
30.1
|
1.0
|
OP2
|
A:A57
|
3.9
|
36.5
|
1.0
|
OP1
|
A:G54
|
4.0
|
26.6
|
1.0
|
N7
|
A:G22
|
4.1
|
28.8
|
1.0
|
O6
|
A:G22
|
4.2
|
30.1
|
1.0
|
CA
|
A:GLN101
|
4.3
|
26.9
|
1.0
|
OP2
|
A:A56
|
4.3
|
32.0
|
1.0
|
N7
|
A:A57
|
4.4
|
32.0
|
1.0
|
C2
|
A:G54
|
4.5
|
29.6
|
1.0
|
O
|
A:HOH280
|
4.5
|
43.6
|
1.0
|
CG
|
A:GLN101
|
4.6
|
27.7
|
1.0
|
O
|
A:HOH232
|
4.7
|
35.2
|
1.0
|
CB
|
A:GLN101
|
4.8
|
29.9
|
1.0
|
N1
|
A:G54
|
4.8
|
29.9
|
1.0
|
C8
|
A:A57
|
4.8
|
32.9
|
1.0
|
C5
|
A:G22
|
4.9
|
27.8
|
1.0
|
C6
|
A:G22
|
5.0
|
27.5
|
1.0
|
|
Magnesium binding site 2 out
of 9 in 5ddp
Go back to
Magnesium Binding Sites List in 5ddp
Magnesium binding site 2 out
of 9 in the L-Glutamine Riboswitch Bound with L-Glutamine
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 2 of L-Glutamine Riboswitch Bound with L-Glutamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg103
b:34.5
occ:1.00
|
O
|
A:HOH218
|
2.0
|
34.0
|
1.0
|
O
|
A:HOH245
|
2.1
|
30.0
|
1.0
|
O
|
A:HOH351
|
2.1
|
24.1
|
1.0
|
O
|
A:HOH269
|
2.1
|
27.4
|
1.0
|
O
|
A:HOH348
|
2.1
|
33.3
|
1.0
|
O
|
A:HOH248
|
2.2
|
28.8
|
1.0
|
O
|
A:HOH335
|
4.0
|
38.4
|
1.0
|
O6
|
A:G54
|
4.0
|
34.1
|
1.0
|
O4
|
A:U3
|
4.1
|
27.6
|
1.0
|
O4
|
A:U4
|
4.1
|
31.4
|
1.0
|
O
|
A:HOH235
|
4.3
|
36.3
|
1.0
|
O
|
A:HOH309
|
4.3
|
34.4
|
1.0
|
O
|
A:HOH282
|
4.3
|
32.1
|
1.0
|
O6
|
A:G5
|
4.3
|
36.5
|
1.0
|
O
|
A:HOH287
|
4.4
|
34.9
|
1.0
|
N7
|
A:G54
|
4.4
|
28.8
|
1.0
|
O
|
A:HOH355
|
4.5
|
45.3
|
1.0
|
C4
|
A:U3
|
4.7
|
29.9
|
1.0
|
N4
|
A:C55
|
4.8
|
34.0
|
1.0
|
C5
|
A:U3
|
4.9
|
32.0
|
1.0
|
C6
|
A:G54
|
4.9
|
31.2
|
1.0
|
|
Magnesium binding site 3 out
of 9 in 5ddp
Go back to
Magnesium Binding Sites List in 5ddp
Magnesium binding site 3 out
of 9 in the L-Glutamine Riboswitch Bound with L-Glutamine
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 3 of L-Glutamine Riboswitch Bound with L-Glutamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg104
b:65.0
occ:1.00
|
O
|
A:HOH236
|
2.1
|
39.5
|
1.0
|
O
|
A:HOH220
|
2.1
|
39.2
|
1.0
|
O
|
A:HOH340
|
3.1
|
51.5
|
1.0
|
O
|
A:HOH262
|
3.4
|
35.5
|
1.0
|
O
|
A:HOH207
|
3.6
|
44.0
|
1.0
|
O
|
A:HOH206
|
4.1
|
43.8
|
1.0
|
O4
|
A:U17
|
4.3
|
32.2
|
1.0
|
N7
|
A:G18
|
4.4
|
34.9
|
1.0
|
O6
|
A:G18
|
4.4
|
34.3
|
1.0
|
C5
|
A:U17
|
4.4
|
33.9
|
1.0
|
C4
|
A:U17
|
4.6
|
34.5
|
1.0
|
O
|
A:HOH345
|
4.6
|
47.7
|
1.0
|
O6
|
A:G19
|
4.9
|
37.1
|
1.0
|
|
Magnesium binding site 4 out
of 9 in 5ddp
Go back to
Magnesium Binding Sites List in 5ddp
Magnesium binding site 4 out
of 9 in the L-Glutamine Riboswitch Bound with L-Glutamine
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 4 of L-Glutamine Riboswitch Bound with L-Glutamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg105
b:56.2
occ:1.00
|
O
|
A:HOH255
|
2.1
|
39.9
|
1.0
|
O
|
A:HOH347
|
2.1
|
49.6
|
1.0
|
O
|
A:HOH261
|
2.1
|
36.5
|
1.0
|
O
|
A:HOH332
|
2.9
|
43.6
|
1.0
|
O
|
A:HOH349
|
3.1
|
45.4
|
1.0
|
O
|
A:HOH277
|
3.1
|
35.9
|
1.0
|
O
|
A:HOH350
|
3.3
|
49.4
|
1.0
|
N7
|
A:G12
|
4.0
|
31.3
|
1.0
|
NA
|
A:NA107
|
4.1
|
32.2
|
1.0
|
O6
|
A:G12
|
4.1
|
36.6
|
1.0
|
O
|
A:HOH263
|
4.4
|
38.1
|
1.0
|
O
|
A:HOH254
|
4.5
|
38.0
|
1.0
|
C5
|
A:G12
|
4.6
|
33.6
|
1.0
|
C6
|
A:G12
|
4.6
|
34.7
|
1.0
|
OP1
|
A:A14
|
4.7
|
36.5
|
1.0
|
C8
|
A:G12
|
4.9
|
31.9
|
1.0
|
|
Magnesium binding site 5 out
of 9 in 5ddp
Go back to
Magnesium Binding Sites List in 5ddp
Magnesium binding site 5 out
of 9 in the L-Glutamine Riboswitch Bound with L-Glutamine
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 5 of L-Glutamine Riboswitch Bound with L-Glutamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Mg106
b:52.8
occ:1.00
|
O
|
A:HOH203
|
2.1
|
58.3
|
1.0
|
O3'
|
A:G61
|
2.4
|
61.5
|
1.0
|
C3'
|
A:G61
|
2.8
|
52.8
|
1.0
|
C2'
|
A:G61
|
3.1
|
52.5
|
1.0
|
O2'
|
A:G61
|
3.8
|
53.5
|
1.0
|
C4'
|
A:G61
|
4.3
|
52.8
|
1.0
|
C1'
|
A:G61
|
4.5
|
49.1
|
1.0
|
N9
|
A:G61
|
4.8
|
45.7
|
1.0
|
|
Magnesium binding site 6 out
of 9 in 5ddp
Go back to
Magnesium Binding Sites List in 5ddp
Magnesium binding site 6 out
of 9 in the L-Glutamine Riboswitch Bound with L-Glutamine
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 6 of L-Glutamine Riboswitch Bound with L-Glutamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg102
b:38.0
occ:1.00
|
O
|
B:HOH263
|
2.0
|
36.8
|
1.0
|
O
|
B:GLN101
|
2.1
|
32.5
|
1.0
|
O
|
B:HOH237
|
2.1
|
35.1
|
1.0
|
O
|
B:HOH238
|
2.1
|
37.1
|
1.0
|
O
|
B:HOH261
|
2.1
|
40.8
|
1.0
|
O
|
B:HOH232
|
2.1
|
36.9
|
1.0
|
C
|
B:GLN101
|
3.2
|
40.4
|
1.0
|
OXT
|
B:GLN101
|
3.5
|
39.6
|
1.0
|
N2
|
B:G54
|
3.9
|
42.4
|
1.0
|
OP2
|
B:A57
|
4.0
|
48.5
|
1.0
|
OP1
|
B:G54
|
4.0
|
37.7
|
1.0
|
N7
|
B:G22
|
4.1
|
35.6
|
1.0
|
OP2
|
B:A56
|
4.1
|
45.4
|
1.0
|
O6
|
B:G22
|
4.4
|
44.0
|
1.0
|
N7
|
B:A57
|
4.4
|
49.0
|
1.0
|
C2
|
B:G54
|
4.5
|
40.3
|
1.0
|
CA
|
B:GLN101
|
4.5
|
40.1
|
1.0
|
CG
|
B:GLN101
|
4.8
|
36.6
|
1.0
|
O
|
B:HOH276
|
4.8
|
43.6
|
1.0
|
N1
|
B:G54
|
4.8
|
39.7
|
1.0
|
CB
|
B:GLN101
|
4.9
|
36.4
|
1.0
|
C5
|
B:G22
|
4.9
|
38.2
|
1.0
|
C8
|
B:A57
|
4.9
|
49.3
|
1.0
|
|
Magnesium binding site 7 out
of 9 in 5ddp
Go back to
Magnesium Binding Sites List in 5ddp
Magnesium binding site 7 out
of 9 in the L-Glutamine Riboswitch Bound with L-Glutamine
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 7 of L-Glutamine Riboswitch Bound with L-Glutamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg103
b:58.0
occ:1.00
|
O
|
B:HOH235
|
2.1
|
49.1
|
1.0
|
O
|
B:HOH211
|
2.1
|
46.8
|
1.0
|
O
|
B:HOH304
|
2.1
|
55.5
|
1.0
|
O
|
B:HOH253
|
2.1
|
40.1
|
1.0
|
O
|
B:HOH241
|
3.6
|
39.1
|
1.0
|
O
|
B:HOH228
|
3.7
|
42.4
|
1.0
|
O6
|
B:G19
|
4.0
|
37.2
|
1.0
|
O6
|
B:G18
|
4.3
|
36.8
|
1.0
|
N7
|
B:G18
|
4.5
|
34.7
|
1.0
|
N4
|
B:C7
|
4.9
|
53.8
|
1.0
|
C6
|
B:G19
|
5.0
|
38.6
|
1.0
|
N4
|
B:C8
|
5.0
|
44.6
|
1.0
|
|
Magnesium binding site 8 out
of 9 in 5ddp
Go back to
Magnesium Binding Sites List in 5ddp
Magnesium binding site 8 out
of 9 in the L-Glutamine Riboswitch Bound with L-Glutamine
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 8 of L-Glutamine Riboswitch Bound with L-Glutamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg104
b:49.2
occ:1.00
|
O
|
B:HOH301
|
2.1
|
36.8
|
1.0
|
O
|
B:HOH275
|
2.1
|
38.5
|
1.0
|
O
|
B:HOH216
|
2.1
|
44.2
|
1.0
|
O
|
B:HOH296
|
2.1
|
42.2
|
1.0
|
O
|
B:HOH279
|
2.1
|
38.8
|
1.0
|
O
|
B:HOH249
|
2.1
|
43.3
|
1.0
|
O
|
B:HOH280
|
3.5
|
38.8
|
1.0
|
O
|
B:HOH277
|
4.1
|
37.2
|
1.0
|
O
|
B:HOH250
|
4.1
|
47.5
|
1.0
|
O
|
B:HOH219
|
4.2
|
42.9
|
1.0
|
O
|
B:HOH242
|
4.2
|
36.8
|
1.0
|
O4
|
B:U4
|
4.2
|
50.4
|
1.0
|
O4
|
B:U3
|
4.5
|
45.3
|
1.0
|
O6
|
B:G5
|
4.6
|
52.4
|
1.0
|
O6
|
B:G54
|
4.7
|
39.0
|
1.0
|
O
|
B:HOH209
|
4.8
|
46.2
|
1.0
|
N7
|
B:G54
|
4.9
|
38.5
|
1.0
|
|
Magnesium binding site 9 out
of 9 in 5ddp
Go back to
Magnesium Binding Sites List in 5ddp
Magnesium binding site 9 out
of 9 in the L-Glutamine Riboswitch Bound with L-Glutamine
Mono view
Stereo pair view
|
A full contact list of Magnesium with other atoms in the Mg binding
site number 9 of L-Glutamine Riboswitch Bound with L-Glutamine within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Mg105
b:56.0
occ:1.00
|
O
|
B:HOH208
|
2.1
|
33.2
|
1.0
|
O
|
B:HOH297
|
2.1
|
42.6
|
1.0
|
O
|
B:HOH289
|
2.1
|
36.3
|
1.0
|
O
|
B:HOH298
|
2.2
|
49.2
|
1.0
|
O
|
B:HOH217
|
3.1
|
36.6
|
1.0
|
O
|
B:HOH255
|
3.3
|
35.7
|
1.0
|
O
|
B:HOH236
|
3.7
|
40.2
|
1.0
|
O
|
B:HOH295
|
4.0
|
47.6
|
1.0
|
N7
|
B:G12
|
4.0
|
27.1
|
1.0
|
NA
|
B:NA106
|
4.1
|
35.9
|
1.0
|
O6
|
B:G12
|
4.7
|
31.0
|
1.0
|
O
|
B:HOH212
|
4.7
|
33.2
|
1.0
|
O
|
B:HOH265
|
4.8
|
39.9
|
1.0
|
C8
|
B:G12
|
4.9
|
29.0
|
1.0
|
C5
|
B:G12
|
4.9
|
26.7
|
1.0
|
|
Reference:
A.Ren,
Y.Xue,
A.Peselis,
A.Serganov,
H.M.Al-Hashimi,
D.J.Patel.
Structural and Dynamic Basis For Low-Affinity, High-Selectivity Binding of L-Glutamine By the Glutamine Riboswitch. Cell Rep V. 13 1800 2015.
ISSN: ESSN 2211-1247
PubMed: 26655897
DOI: 10.1016/J.CELREP.2015.10.062
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