Potassium in PDB 8vjt: Structure of the Poly-Ug Quadruplex (Gugugu)4
Protein crystallography data
The structure of Structure of the Poly-Ug Quadruplex (Gugugu)4, PDB code: 8vjt
was solved by
C.A.Bingman,
E.J.Montemayor,
S.Roschdi,
Y.Nomura,
S.E.Butcher,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
21.73 /
1.05
|
Space group
|
P 4 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
32.821,
32.821,
57.97,
90,
90,
90
|
R / Rfree (%)
|
14.8 /
16.1
|
Other elements in 8vjt:
The structure of Structure of the Poly-Ug Quadruplex (Gugugu)4 also contains other interesting chemical elements:
Potassium Binding Sites:
The binding sites of Potassium atom in the Structure of the Poly-Ug Quadruplex (Gugugu)4
(pdb code 8vjt). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 7 binding sites of Potassium where determined in the
Structure of the Poly-Ug Quadruplex (Gugugu)4, PDB code: 8vjt:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
7;
Potassium binding site 1 out
of 7 in 8vjt
Go back to
Potassium Binding Sites List in 8vjt
Potassium binding site 1 out
of 7 in the Structure of the Poly-Ug Quadruplex (Gugugu)4
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Structure of the Poly-Ug Quadruplex (Gugugu)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K101
b:7.3
occ:0.25
|
O6
|
A:G1
|
2.7
|
8.1
|
0.5
|
O6
|
B:G1
|
2.8
|
8.0
|
0.5
|
O6
|
B:G1
|
2.8
|
6.7
|
0.5
|
O6
|
A:G1
|
2.9
|
7.9
|
0.5
|
H1
|
B:G1
|
3.4
|
9.8
|
0.5
|
K
|
B:K103
|
3.5
|
7.4
|
0.2
|
K
|
A:K102
|
3.5
|
8.1
|
0.2
|
H1
|
A:G1
|
3.5
|
8.6
|
0.5
|
C6
|
A:G1
|
3.6
|
6.7
|
0.5
|
C6
|
B:G1
|
3.7
|
8.1
|
0.5
|
H1
|
A:G1
|
3.7
|
11.9
|
0.5
|
H1
|
B:G1
|
3.7
|
8.6
|
0.5
|
C6
|
B:G1
|
3.7
|
6.7
|
0.5
|
C6
|
A:G1
|
3.8
|
9.5
|
0.5
|
N1
|
B:G1
|
3.8
|
8.1
|
0.5
|
N1
|
A:G1
|
3.9
|
7.2
|
0.5
|
N1
|
A:G1
|
4.1
|
9.9
|
0.5
|
N1
|
B:G1
|
4.1
|
7.1
|
0.5
|
C5
|
A:G1
|
4.8
|
5.5
|
0.5
|
C5
|
B:G1
|
4.9
|
6.9
|
0.5
|
C5
|
B:G1
|
4.9
|
8.8
|
0.5
|
C5
|
A:G1
|
4.9
|
12.0
|
0.5
|
|
Potassium binding site 2 out
of 7 in 8vjt
Go back to
Potassium Binding Sites List in 8vjt
Potassium binding site 2 out
of 7 in the Structure of the Poly-Ug Quadruplex (Gugugu)4
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Structure of the Poly-Ug Quadruplex (Gugugu)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K102
b:8.1
occ:0.25
|
O6
|
A:G3
|
2.7
|
9.2
|
0.5
|
O6
|
A:G1
|
2.8
|
7.9
|
0.5
|
O6
|
A:G3
|
2.8
|
7.2
|
0.5
|
O6
|
A:G1
|
2.9
|
8.1
|
0.5
|
O
|
A:HOH210
|
3.3
|
4.5
|
0.2
|
H1
|
A:G3
|
3.5
|
8.6
|
0.5
|
K
|
A:K101
|
3.5
|
7.3
|
0.2
|
C6
|
A:G3
|
3.6
|
7.2
|
0.5
|
H1
|
A:G1
|
3.6
|
8.6
|
0.5
|
H1
|
A:G3
|
3.6
|
9.1
|
0.5
|
C6
|
A:G3
|
3.7
|
7.5
|
0.5
|
C6
|
A:G1
|
3.7
|
6.7
|
0.5
|
H1
|
A:G1
|
3.7
|
11.9
|
0.5
|
C6
|
A:G1
|
3.7
|
9.5
|
0.5
|
N1
|
A:G3
|
3.9
|
7.2
|
0.5
|
N1
|
A:G1
|
4.0
|
7.2
|
0.5
|
N1
|
A:G3
|
4.0
|
7.6
|
0.5
|
N1
|
A:G1
|
4.1
|
9.9
|
0.5
|
C5
|
A:G3
|
4.7
|
6.9
|
0.5
|
C5
|
A:G3
|
4.9
|
9.1
|
0.5
|
C5
|
A:G1
|
4.9
|
5.5
|
0.5
|
C5
|
A:G1
|
4.9
|
12.0
|
0.5
|
|
Potassium binding site 3 out
of 7 in 8vjt
Go back to
Potassium Binding Sites List in 8vjt
Potassium binding site 3 out
of 7 in the Structure of the Poly-Ug Quadruplex (Gugugu)4
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Structure of the Poly-Ug Quadruplex (Gugugu)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K103
b:8.6
occ:0.25
|
O4
|
A:U4
|
2.7
|
6.1
|
0.5
|
O4
|
A:U4
|
2.7
|
12.9
|
0.5
|
O6
|
A:G5
|
2.7
|
5.4
|
0.5
|
O6
|
A:G5
|
2.8
|
9.7
|
0.5
|
O
|
A:HOH210
|
3.0
|
4.5
|
0.2
|
H3
|
A:U4
|
3.4
|
6.8
|
0.5
|
K
|
A:K104
|
3.4
|
8.8
|
0.2
|
H1
|
A:G5
|
3.5
|
10.6
|
0.5
|
H3
|
A:U4
|
3.6
|
15.2
|
0.5
|
C4
|
A:U4
|
3.6
|
6.6
|
0.5
|
H1
|
A:G5
|
3.7
|
8.7
|
0.5
|
C4
|
A:U4
|
3.7
|
11.2
|
0.5
|
C6
|
A:G5
|
3.7
|
6.0
|
0.5
|
C6
|
A:G5
|
3.8
|
9.2
|
0.5
|
N3
|
A:U4
|
3.8
|
5.7
|
0.5
|
N1
|
A:G5
|
4.0
|
8.8
|
0.5
|
N3
|
A:U4
|
4.0
|
12.7
|
0.5
|
N1
|
A:G5
|
4.1
|
7.2
|
0.5
|
C5
|
A:U4
|
4.9
|
7.6
|
0.5
|
C5
|
A:G5
|
5.0
|
6.5
|
0.5
|
|
Potassium binding site 4 out
of 7 in 8vjt
Go back to
Potassium Binding Sites List in 8vjt
Potassium binding site 4 out
of 7 in the Structure of the Poly-Ug Quadruplex (Gugugu)4
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Structure of the Poly-Ug Quadruplex (Gugugu)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K104
b:8.8
occ:0.25
|
O4
|
A:U6
|
2.7
|
9.9
|
0.5
|
O4
|
A:U6
|
2.8
|
7.6
|
0.5
|
O6
|
A:G5
|
2.9
|
5.4
|
0.5
|
O6
|
A:G5
|
3.0
|
9.7
|
0.5
|
H3
|
A:U6
|
3.3
|
10.2
|
0.5
|
K
|
A:K103
|
3.4
|
8.6
|
0.2
|
H3
|
A:U6
|
3.5
|
10.0
|
0.5
|
H1
|
A:G5
|
3.5
|
10.6
|
0.5
|
C6
|
A:G5
|
3.6
|
6.0
|
0.5
|
C4
|
A:U6
|
3.6
|
9.8
|
0.5
|
H1
|
A:G5
|
3.6
|
8.7
|
0.5
|
C6
|
A:G5
|
3.7
|
9.2
|
0.5
|
C4
|
A:U6
|
3.8
|
7.4
|
0.5
|
N3
|
A:U6
|
3.8
|
8.5
|
0.5
|
N1
|
A:G5
|
3.9
|
8.8
|
0.5
|
N1
|
A:G5
|
3.9
|
7.2
|
0.5
|
N3
|
A:U6
|
4.0
|
8.4
|
0.5
|
C5
|
A:G5
|
4.8
|
6.5
|
0.5
|
C5
|
A:G5
|
4.8
|
10.2
|
0.5
|
C5
|
A:U6
|
4.9
|
10.2
|
0.5
|
|
Potassium binding site 5 out
of 7 in 8vjt
Go back to
Potassium Binding Sites List in 8vjt
Potassium binding site 5 out
of 7 in the Structure of the Poly-Ug Quadruplex (Gugugu)4
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 5 of Structure of the Poly-Ug Quadruplex (Gugugu)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K101
b:6.3
occ:0.25
|
O4
|
B:U6
|
2.7
|
7.6
|
0.5
|
O6
|
B:G5
|
2.8
|
5.8
|
0.5
|
O4
|
B:U6
|
2.8
|
7.8
|
0.5
|
O6
|
B:G5
|
2.9
|
7.5
|
0.5
|
H3
|
B:U6
|
3.4
|
8.5
|
0.5
|
H3
|
B:U6
|
3.4
|
10.0
|
0.5
|
H1
|
B:G5
|
3.5
|
8.1
|
0.5
|
K
|
B:K102
|
3.5
|
6.2
|
0.2
|
C6
|
B:G5
|
3.6
|
6.9
|
0.5
|
H1
|
B:G5
|
3.6
|
8.6
|
0.5
|
C6
|
B:G5
|
3.6
|
7.5
|
0.5
|
C4
|
B:U6
|
3.7
|
7.8
|
0.5
|
C4
|
B:U6
|
3.7
|
7.6
|
0.5
|
N1
|
B:G5
|
3.9
|
6.7
|
0.5
|
N1
|
B:G5
|
3.9
|
7.1
|
0.5
|
N3
|
B:U6
|
3.9
|
8.3
|
0.5
|
N3
|
B:U6
|
4.0
|
7.1
|
0.5
|
C5
|
B:G5
|
4.7
|
7.9
|
0.5
|
C5
|
B:G5
|
4.8
|
7.0
|
0.5
|
|
Potassium binding site 6 out
of 7 in 8vjt
Go back to
Potassium Binding Sites List in 8vjt
Potassium binding site 6 out
of 7 in the Structure of the Poly-Ug Quadruplex (Gugugu)4
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 6 of Structure of the Poly-Ug Quadruplex (Gugugu)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K102
b:6.2
occ:0.25
|
O4
|
B:U4
|
2.7
|
6.4
|
0.5
|
O4
|
B:U4
|
2.7
|
9.3
|
0.5
|
O6
|
B:G5
|
2.8
|
5.8
|
0.5
|
O6
|
B:G5
|
2.9
|
7.5
|
0.5
|
H3
|
B:U4
|
3.3
|
11.8
|
0.5
|
H3
|
B:U4
|
3.4
|
7.6
|
0.5
|
K
|
B:K101
|
3.5
|
6.3
|
0.2
|
C4
|
B:U4
|
3.6
|
6.3
|
0.5
|
C4
|
B:U4
|
3.7
|
9.6
|
0.5
|
H1
|
B:G5
|
3.7
|
8.1
|
0.5
|
C6
|
B:G5
|
3.8
|
6.9
|
0.5
|
H1
|
B:G5
|
3.8
|
8.6
|
0.5
|
N3
|
B:U4
|
3.8
|
9.8
|
0.5
|
C6
|
B:G5
|
3.9
|
7.5
|
0.5
|
N3
|
B:U4
|
3.9
|
6.3
|
0.5
|
N1
|
B:G5
|
4.1
|
6.7
|
0.5
|
N1
|
B:G5
|
4.2
|
7.1
|
0.5
|
C5
|
B:U4
|
4.9
|
6.8
|
0.5
|
C5
|
B:U4
|
5.0
|
9.9
|
0.5
|
C5
|
B:G5
|
5.0
|
7.9
|
0.5
|
|
Potassium binding site 7 out
of 7 in 8vjt
Go back to
Potassium Binding Sites List in 8vjt
Potassium binding site 7 out
of 7 in the Structure of the Poly-Ug Quadruplex (Gugugu)4
Mono view
Stereo pair view
|
A full contact list of Potassium with other atoms in the K binding
site number 7 of Structure of the Poly-Ug Quadruplex (Gugugu)4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:K103
b:7.4
occ:0.25
|
O6
|
B:G3
|
2.6
|
13.0
|
0.5
|
O6
|
B:G3
|
2.6
|
4.0
|
0.5
|
O6
|
B:G1
|
2.9
|
6.7
|
0.5
|
O6
|
B:G1
|
3.0
|
8.0
|
0.5
|
H1
|
B:G3
|
3.3
|
12.9
|
0.5
|
H1
|
B:G3
|
3.5
|
5.3
|
0.5
|
K
|
A:K101
|
3.5
|
7.3
|
0.2
|
H1
|
B:G1
|
3.5
|
9.8
|
0.5
|
C6
|
B:G3
|
3.6
|
4.5
|
0.5
|
C6
|
B:G3
|
3.6
|
10.8
|
0.5
|
C6
|
B:G1
|
3.7
|
8.1
|
0.5
|
H1
|
B:G1
|
3.8
|
8.6
|
0.5
|
C6
|
B:G1
|
3.8
|
6.7
|
0.5
|
N1
|
B:G3
|
3.8
|
10.8
|
0.5
|
N1
|
B:G3
|
3.9
|
4.4
|
0.5
|
N1
|
B:G1
|
3.9
|
8.1
|
0.5
|
N1
|
B:G1
|
4.1
|
7.1
|
0.5
|
C5
|
B:G3
|
4.8
|
6.8
|
0.5
|
C5
|
B:G3
|
4.9
|
8.6
|
0.5
|
C5
|
B:G1
|
4.9
|
8.8
|
0.5
|
C5
|
B:G1
|
5.0
|
6.9
|
0.5
|
|
Reference:
S.Roschdi,
E.J.Montemayor,
R.Vivek,
C.A.Bingman,
S.E.Butcher.
Self-Assembly and Condensation of Intermolecular Poly(Ug) Rna Quadruplexes. Nucleic Acids Res. 2024.
ISSN: ESSN 1362-4962
PubMed: 39373474
DOI: 10.1093/NAR/GKAE870
Page generated: Thu Oct 31 21:34:57 2024
|