Sodium in PDB 6dmc: Ppgpp Riboswitch Bound to Ppgpp, Native Structure
Protein crystallography data
The structure of Ppgpp Riboswitch Bound to Ppgpp, Native Structure, PDB code: 6dmc
was solved by
A.Peselis,
A.Serganov,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
20.00 /
2.20
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.162,
48.917,
78.723,
90.00,
97.33,
90.00
|
R / Rfree (%)
|
22.8 /
25.9
|
Other elements in 6dmc:
The structure of Ppgpp Riboswitch Bound to Ppgpp, Native Structure also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Ppgpp Riboswitch Bound to Ppgpp, Native Structure
(pdb code 6dmc). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 10 binding sites of Sodium where determined in the
Ppgpp Riboswitch Bound to Ppgpp, Native Structure, PDB code: 6dmc:
Jump to Sodium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Sodium binding site 1 out
of 10 in 6dmc
Go back to
Sodium Binding Sites List in 6dmc
Sodium binding site 1 out
of 10 in the Ppgpp Riboswitch Bound to Ppgpp, Native Structure
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 1 of Ppgpp Riboswitch Bound to Ppgpp, Native Structure within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na214
b:58.5
occ:1.00
|
OP2
|
A:C11
|
2.8
|
47.6
|
1.0
|
N7
|
A:A41
|
3.7
|
26.0
|
1.0
|
P
|
A:C11
|
4.2
|
49.9
|
1.0
|
OP2
|
A:A41
|
4.3
|
29.1
|
1.0
|
O
|
A:HOH376
|
4.4
|
29.6
|
1.0
|
C8
|
A:A41
|
4.4
|
26.2
|
1.0
|
O
|
A:HOH335
|
4.6
|
29.1
|
1.0
|
N6
|
A:A41
|
4.6
|
26.6
|
1.0
|
C5
|
A:A41
|
4.6
|
25.9
|
1.0
|
OP2
|
A:C40
|
4.7
|
32.5
|
1.0
|
OP1
|
A:C11
|
4.8
|
49.0
|
1.0
|
O5'
|
A:C11
|
4.8
|
45.4
|
1.0
|
|
Sodium binding site 2 out
of 10 in 6dmc
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Sodium Binding Sites List in 6dmc
Sodium binding site 2 out
of 10 in the Ppgpp Riboswitch Bound to Ppgpp, Native Structure
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 2 of Ppgpp Riboswitch Bound to Ppgpp, Native Structure within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na215
b:36.0
occ:1.00
|
O
|
A:HOH425
|
2.0
|
33.8
|
1.0
|
O
|
A:HOH374
|
2.2
|
34.1
|
1.0
|
O
|
A:HOH321
|
2.3
|
33.1
|
1.0
|
O
|
A:HOH338
|
4.0
|
45.0
|
1.0
|
O
|
A:HOH342
|
4.6
|
34.8
|
1.0
|
OP2
|
A:A31
|
4.7
|
45.9
|
1.0
|
N7
|
A:G32
|
4.8
|
32.3
|
1.0
|
O6
|
A:G32
|
4.9
|
30.3
|
1.0
|
O
|
A:HOH414
|
4.9
|
13.6
|
1.0
|
O6
|
A:G33
|
5.0
|
26.9
|
1.0
|
|
Sodium binding site 3 out
of 10 in 6dmc
Go back to
Sodium Binding Sites List in 6dmc
Sodium binding site 3 out
of 10 in the Ppgpp Riboswitch Bound to Ppgpp, Native Structure
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 3 of Ppgpp Riboswitch Bound to Ppgpp, Native Structure within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na216
b:58.2
occ:1.00
|
O6
|
A:G26
|
4.9
|
43.5
|
1.0
|
N7
|
A:G26
|
4.9
|
40.8
|
1.0
|
|
Sodium binding site 4 out
of 10 in 6dmc
Go back to
Sodium Binding Sites List in 6dmc
Sodium binding site 4 out
of 10 in the Ppgpp Riboswitch Bound to Ppgpp, Native Structure
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 4 of Ppgpp Riboswitch Bound to Ppgpp, Native Structure within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na217
b:27.9
occ:1.00
|
O
|
A:HOH424
|
2.0
|
18.0
|
1.0
|
O
|
A:HOH332
|
2.0
|
22.4
|
1.0
|
O
|
A:HOH330
|
2.1
|
32.5
|
1.0
|
O
|
A:HOH327
|
2.2
|
14.4
|
1.0
|
O
|
A:HOH347
|
2.2
|
23.8
|
1.0
|
O
|
A:HOH419
|
2.3
|
31.2
|
1.0
|
OP1
|
A:C44
|
3.9
|
24.4
|
1.0
|
OP2
|
A:C44
|
4.1
|
22.4
|
1.0
|
N7
|
A:G45
|
4.1
|
29.1
|
1.0
|
O
|
A:HOH420
|
4.2
|
41.2
|
1.0
|
O6
|
A:G45
|
4.2
|
25.6
|
1.0
|
N7
|
A:G46
|
4.3
|
29.8
|
1.0
|
O6
|
A:G46
|
4.3
|
27.6
|
1.0
|
P
|
A:C44
|
4.5
|
24.7
|
1.0
|
C5
|
A:G45
|
4.6
|
28.2
|
1.0
|
C6
|
A:G45
|
4.6
|
27.3
|
1.0
|
O
|
A:HOH390
|
4.7
|
40.1
|
1.0
|
O
|
A:HOH355
|
4.8
|
27.6
|
1.0
|
|
Sodium binding site 5 out
of 10 in 6dmc
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Sodium Binding Sites List in 6dmc
Sodium binding site 5 out
of 10 in the Ppgpp Riboswitch Bound to Ppgpp, Native Structure
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 5 of Ppgpp Riboswitch Bound to Ppgpp, Native Structure within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na218
b:56.0
occ:1.00
|
O2
|
A:C19
|
3.7
|
37.7
|
1.0
|
N2
|
A:G37
|
3.9
|
31.9
|
1.0
|
O2'
|
A:C19
|
4.0
|
41.5
|
1.0
|
O2'
|
A:A38
|
4.4
|
32.1
|
1.0
|
C2'
|
A:C19
|
4.7
|
41.2
|
1.0
|
C2
|
A:C19
|
4.9
|
38.2
|
1.0
|
|
Sodium binding site 6 out
of 10 in 6dmc
Go back to
Sodium Binding Sites List in 6dmc
Sodium binding site 6 out
of 10 in the Ppgpp Riboswitch Bound to Ppgpp, Native Structure
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 6 of Ppgpp Riboswitch Bound to Ppgpp, Native Structure within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Na219
b:45.8
occ:1.00
|
C4'
|
A:U100
|
4.6
|
45.9
|
1.0
|
O2'
|
A:C53
|
4.9
|
72.3
|
1.0
|
C5'
|
A:U100
|
5.0
|
48.3
|
1.0
|
|
Sodium binding site 7 out
of 10 in 6dmc
Go back to
Sodium Binding Sites List in 6dmc
Sodium binding site 7 out
of 10 in the Ppgpp Riboswitch Bound to Ppgpp, Native Structure
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 7 of Ppgpp Riboswitch Bound to Ppgpp, Native Structure within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na211
b:53.1
occ:1.00
|
O
|
B:HOH306
|
2.3
|
34.7
|
1.0
|
O
|
B:HOH330
|
2.3
|
42.3
|
1.0
|
O
|
B:HOH329
|
2.4
|
49.8
|
1.0
|
O6
|
B:G46
|
4.1
|
50.1
|
1.0
|
O6
|
B:G45
|
4.3
|
46.3
|
1.0
|
O
|
B:HOH340
|
4.3
|
38.5
|
1.0
|
N7
|
B:G46
|
4.5
|
53.8
|
1.0
|
O4
|
B:U47
|
4.6
|
56.8
|
1.0
|
OP1
|
B:C44
|
4.6
|
34.3
|
1.0
|
O
|
B:HOH307
|
4.6
|
39.6
|
1.0
|
OP2
|
B:C44
|
4.7
|
35.5
|
1.0
|
N6
|
B:A9
|
4.8
|
54.8
|
1.0
|
C5'
|
B:A42
|
4.8
|
44.1
|
1.0
|
N7
|
B:G45
|
4.9
|
42.1
|
1.0
|
C6
|
B:G45
|
4.9
|
43.5
|
1.0
|
O5'
|
B:A42
|
5.0
|
46.4
|
1.0
|
|
Sodium binding site 8 out
of 10 in 6dmc
Go back to
Sodium Binding Sites List in 6dmc
Sodium binding site 8 out
of 10 in the Ppgpp Riboswitch Bound to Ppgpp, Native Structure
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 8 of Ppgpp Riboswitch Bound to Ppgpp, Native Structure within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na212
b:48.8
occ:1.00
|
O
|
B:HOH327
|
2.3
|
46.1
|
1.0
|
O
|
B:HOH342
|
2.4
|
46.0
|
1.0
|
N7
|
B:G32
|
2.9
|
34.4
|
1.0
|
O
|
B:HOH323
|
2.9
|
36.5
|
1.0
|
O
|
B:HOH328
|
3.4
|
40.7
|
1.0
|
C8
|
B:G32
|
3.8
|
35.2
|
1.0
|
O6
|
B:G32
|
3.8
|
31.7
|
1.0
|
C5
|
B:G32
|
3.9
|
34.5
|
1.0
|
N7
|
B:A31
|
3.9
|
34.2
|
1.0
|
C6
|
B:G32
|
4.2
|
32.9
|
1.0
|
C5
|
B:A31
|
4.4
|
34.2
|
1.0
|
C8
|
B:A31
|
4.5
|
34.6
|
1.0
|
N6
|
B:A31
|
4.6
|
34.5
|
1.0
|
C6
|
B:A31
|
4.7
|
34.7
|
1.0
|
OP2
|
B:G32
|
5.0
|
41.1
|
1.0
|
|
Sodium binding site 9 out
of 10 in 6dmc
Go back to
Sodium Binding Sites List in 6dmc
Sodium binding site 9 out
of 10 in the Ppgpp Riboswitch Bound to Ppgpp, Native Structure
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 9 of Ppgpp Riboswitch Bound to Ppgpp, Native Structure within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na213
b:58.5
occ:1.00
|
OP1
|
B:G66
|
2.2
|
43.0
|
1.0
|
O
|
B:HOH312
|
2.3
|
37.2
|
1.0
|
O
|
B:HOH314
|
2.4
|
35.0
|
1.0
|
P
|
B:G66
|
3.6
|
43.5
|
1.0
|
O5'
|
B:G66
|
4.4
|
41.5
|
1.0
|
C5'
|
B:G66
|
4.4
|
41.6
|
1.0
|
OP2
|
B:G66
|
4.4
|
41.7
|
1.0
|
O3'
|
B:G65
|
4.6
|
45.1
|
1.0
|
OP2
|
B:U67
|
4.6
|
41.6
|
1.0
|
|
Sodium binding site 10 out
of 10 in 6dmc
Go back to
Sodium Binding Sites List in 6dmc
Sodium binding site 10 out
of 10 in the Ppgpp Riboswitch Bound to Ppgpp, Native Structure
 Mono view
 Stereo pair view
|
A full contact list of Sodium with other atoms in the Na binding
site number 10 of Ppgpp Riboswitch Bound to Ppgpp, Native Structure within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Na214
b:60.9
occ:1.00
|
C4'
|
B:G61
|
5.0
|
78.6
|
1.0
|
|
Reference:
A.Peselis,
A.Serganov.
Ykkc Riboswitches Employ An Add-on Helix to Adjust Specificity For Polyanionic Ligands. Nat. Chem. Biol. V. 14 887 2018.
ISSN: ESSN 1552-4469
PubMed: 30120360
DOI: 10.1038/S41589-018-0114-4
Page generated: Tue Oct 8 07:44:20 2024
|