Potassium in PDB 4r44: Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
Protein crystallography data
The structure of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex, PDB code: 4r44
was solved by
P.K.Mandal,
G.W.Collie,
B.Kauffmann,
I.Huc,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
37.89 /
2.69
|
|
Space group
|
P -1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
38.940,
39.000,
84.080,
103.34,
103.37,
90.04
|
|
R / Rfree (%)
|
29.4 /
32.5
|
Other elements in 4r44:
The structure of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex also contains other interesting chemical elements:
Potassium Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
14;
Binding sites:
The binding sites of Potassium atom in the Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
(pdb code 4r44). This binding sites where shown within
5.0 Angstroms radius around Potassium atom.
In total 14 binding sites of Potassium where determined in the
Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex, PDB code: 4r44:
Jump to Potassium binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Potassium binding site 1 out
of 14 in 4r44
Go back to
Potassium Binding Sites List in 4r44
Potassium binding site 1 out
of 14 in the Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 1 of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K101
b:36.5
occ:1.00
|
O6
|
A:DG4
|
2.5
|
23.1
|
1.0
|
|
O6
|
B:DG14
|
2.7
|
15.5
|
1.0
|
|
O6
|
A:DG5
|
2.7
|
29.5
|
1.0
|
|
O6
|
B:DG15
|
2.7
|
26.7
|
1.0
|
|
O6
|
C:DG24
|
2.9
|
24.0
|
1.0
|
|
O6
|
D:DG35
|
2.9
|
36.2
|
1.0
|
|
O6
|
C:DG25
|
2.9
|
27.6
|
1.0
|
|
O6
|
D:DG34
|
3.0
|
21.4
|
1.0
|
|
C6
|
A:DG4
|
3.4
|
22.9
|
1.0
|
|
C6
|
B:DG14
|
3.5
|
17.0
|
1.0
|
|
C6
|
B:DG15
|
3.6
|
27.2
|
1.0
|
|
K
|
D:K101
|
3.6
|
22.8
|
1.0
|
|
C6
|
C:DG24
|
3.6
|
22.4
|
1.0
|
|
C6
|
A:DG5
|
3.6
|
29.3
|
1.0
|
|
N1
|
B:DG14
|
3.7
|
16.3
|
1.0
|
|
C6
|
C:DG25
|
3.7
|
27.0
|
1.0
|
|
N1
|
B:DG15
|
3.8
|
25.2
|
1.0
|
|
C6
|
D:DG34
|
3.8
|
22.5
|
1.0
|
|
N1
|
A:DG4
|
3.8
|
22.1
|
1.0
|
|
N1
|
C:DG25
|
3.8
|
25.7
|
1.0
|
|
N1
|
C:DG24
|
3.8
|
20.8
|
1.0
|
|
C6
|
D:DG35
|
3.9
|
34.3
|
1.0
|
|
N1
|
A:DG5
|
3.9
|
30.0
|
1.0
|
|
N1
|
D:DG34
|
4.1
|
21.4
|
1.0
|
|
N1
|
D:DG35
|
4.2
|
34.8
|
1.0
|
|
C5
|
A:DG4
|
4.5
|
24.0
|
1.0
|
|
C5
|
B:DG14
|
4.7
|
17.6
|
1.0
|
|
C5
|
C:DG24
|
4.8
|
22.9
|
1.0
|
|
C5
|
B:DG15
|
4.9
|
26.4
|
1.0
|
|
C5
|
D:DG34
|
4.9
|
24.2
|
1.0
|
|
C2
|
B:DG14
|
4.9
|
19.6
|
1.0
|
|
C5
|
A:DG5
|
4.9
|
29.2
|
1.0
|
|
Potassium binding site 2 out
of 14 in 4r44
Go back to
Potassium Binding Sites List in 4r44
Potassium binding site 2 out
of 14 in the Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 2 of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K102
b:21.3
occ:1.00
|
O6
|
A:DG3
|
2.7
|
20.8
|
1.0
|
|
O6
|
D:DG33
|
2.7
|
20.4
|
1.0
|
|
O6
|
C:DG22
|
2.8
|
27.3
|
1.0
|
|
O6
|
C:DG23
|
2.8
|
25.3
|
1.0
|
|
O6
|
B:DG13
|
2.8
|
19.8
|
1.0
|
|
O6
|
D:DG32
|
2.9
|
22.9
|
1.0
|
|
O6
|
A:DG2
|
3.0
|
21.5
|
1.0
|
|
O6
|
B:DG12
|
3.2
|
25.9
|
1.0
|
|
K
|
A:K103
|
3.2
|
21.3
|
1.0
|
|
K
|
D:K101
|
3.3
|
22.8
|
1.0
|
|
C6
|
C:DG22
|
3.5
|
23.0
|
1.0
|
|
C6
|
A:DG3
|
3.6
|
20.2
|
1.0
|
|
C6
|
D:DG33
|
3.6
|
18.7
|
1.0
|
|
C6
|
D:DG32
|
3.6
|
24.3
|
1.0
|
|
C6
|
B:DG13
|
3.7
|
18.9
|
1.0
|
|
C6
|
C:DG23
|
3.7
|
24.6
|
1.0
|
|
C6
|
A:DG2
|
3.7
|
22.4
|
1.0
|
|
N1
|
C:DG22
|
3.8
|
20.0
|
1.0
|
|
N1
|
D:DG32
|
3.8
|
23.7
|
1.0
|
|
C6
|
B:DG12
|
3.8
|
27.9
|
1.0
|
|
N1
|
B:DG13
|
3.9
|
17.9
|
1.0
|
|
N1
|
A:DG3
|
3.9
|
19.7
|
1.0
|
|
N1
|
D:DG33
|
3.9
|
18.1
|
1.0
|
|
N1
|
A:DG2
|
4.0
|
19.9
|
1.0
|
|
N1
|
C:DG23
|
4.0
|
26.3
|
1.0
|
|
N1
|
B:DG12
|
4.0
|
26.9
|
1.0
|
|
C5
|
C:DG22
|
4.7
|
23.1
|
1.0
|
|
C5
|
D:DG32
|
4.8
|
24.5
|
1.0
|
|
C5
|
D:DG33
|
4.9
|
18.1
|
1.0
|
|
C5
|
A:DG3
|
4.9
|
20.8
|
1.0
|
|
C5
|
A:DG2
|
4.9
|
21.6
|
1.0
|
|
C5
|
C:DG23
|
5.0
|
23.7
|
1.0
|
|
C2
|
C:DG22
|
5.0
|
19.9
|
1.0
|
|
C5
|
B:DG13
|
5.0
|
20.2
|
1.0
|
|
C2
|
D:DG32
|
5.0
|
25.3
|
1.0
|
|
C5
|
B:DG12
|
5.0
|
30.2
|
1.0
|
|
Potassium binding site 3 out
of 14 in 4r44
Go back to
Potassium Binding Sites List in 4r44
Potassium binding site 3 out
of 14 in the Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 3 of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:K103
b:21.3
occ:1.00
|
O6
|
D:DG32
|
2.7
|
22.9
|
1.0
|
|
O6
|
C:DG22
|
2.7
|
27.3
|
1.0
|
|
O6
|
B:DG12
|
2.7
|
25.9
|
1.0
|
|
O6
|
A:DG2
|
2.8
|
21.5
|
1.0
|
|
O6
|
G:DG62
|
2.8
|
23.2
|
1.0
|
|
O6
|
F:DG52
|
2.8
|
29.5
|
1.0
|
|
O6
|
H:DG72
|
3.1
|
25.0
|
1.0
|
|
O6
|
E:DG42
|
3.1
|
18.6
|
1.0
|
|
K
|
A:K102
|
3.2
|
21.3
|
1.0
|
|
K
|
E:K101
|
3.3
|
18.0
|
1.0
|
|
C6
|
C:DG22
|
3.6
|
23.0
|
1.0
|
|
C6
|
D:DG32
|
3.6
|
24.3
|
1.0
|
|
C6
|
B:DG12
|
3.6
|
27.9
|
1.0
|
|
C6
|
A:DG2
|
3.7
|
22.4
|
1.0
|
|
C6
|
F:DG52
|
3.7
|
32.6
|
1.0
|
|
C6
|
G:DG62
|
3.7
|
26.3
|
1.0
|
|
N1
|
C:DG22
|
3.8
|
20.0
|
1.0
|
|
N1
|
D:DG32
|
3.8
|
23.7
|
1.0
|
|
N1
|
B:DG12
|
3.8
|
26.9
|
1.0
|
|
N1
|
A:DG2
|
3.9
|
19.9
|
1.0
|
|
C6
|
H:DG72
|
3.9
|
23.9
|
1.0
|
|
C6
|
E:DG42
|
3.9
|
18.5
|
1.0
|
|
N1
|
F:DG52
|
3.9
|
35.2
|
1.0
|
|
N1
|
G:DG62
|
4.0
|
25.8
|
1.0
|
|
N1
|
E:DG42
|
4.1
|
19.4
|
1.0
|
|
N1
|
H:DG72
|
4.2
|
25.2
|
1.0
|
|
C5
|
C:DG22
|
4.9
|
23.1
|
1.0
|
|
C5
|
D:DG32
|
4.9
|
24.5
|
1.0
|
|
C5
|
G:DG62
|
4.9
|
27.8
|
1.0
|
|
C5
|
F:DG52
|
4.9
|
29.6
|
1.0
|
|
C5
|
A:DG2
|
5.0
|
21.6
|
1.0
|
|
C5
|
B:DG12
|
5.0
|
30.2
|
1.0
|
|
Potassium binding site 4 out
of 14 in 4r44
Go back to
Potassium Binding Sites List in 4r44
Potassium binding site 4 out
of 14 in the Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 4 of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:K101
b:22.8
occ:1.00
|
O6
|
D:DG33
|
2.6
|
20.4
|
1.0
|
|
O6
|
A:DG4
|
2.7
|
23.1
|
1.0
|
|
O6
|
A:DG3
|
2.7
|
20.8
|
1.0
|
|
O6
|
B:DG13
|
2.8
|
19.8
|
1.0
|
|
O6
|
C:DG23
|
2.8
|
25.3
|
1.0
|
|
O6
|
D:DG34
|
2.8
|
21.4
|
1.0
|
|
O6
|
B:DG14
|
2.8
|
15.5
|
1.0
|
|
O6
|
C:DG24
|
2.9
|
24.0
|
1.0
|
|
K
|
A:K102
|
3.3
|
21.3
|
1.0
|
|
C6
|
D:DG33
|
3.5
|
18.7
|
1.0
|
|
C6
|
A:DG3
|
3.5
|
20.2
|
1.0
|
|
C6
|
B:DG13
|
3.5
|
18.9
|
1.0
|
|
C6
|
A:DG4
|
3.5
|
22.9
|
1.0
|
|
C6
|
C:DG23
|
3.6
|
24.6
|
1.0
|
|
K
|
A:K101
|
3.6
|
36.5
|
1.0
|
|
C6
|
B:DG14
|
3.7
|
17.0
|
1.0
|
|
C6
|
D:DG34
|
3.7
|
22.5
|
1.0
|
|
N1
|
B:DG13
|
3.7
|
17.9
|
1.0
|
|
C6
|
C:DG24
|
3.7
|
22.4
|
1.0
|
|
N1
|
C:DG23
|
3.8
|
26.3
|
1.0
|
|
N1
|
A:DG3
|
3.8
|
19.7
|
1.0
|
|
N1
|
D:DG33
|
3.9
|
18.1
|
1.0
|
|
N1
|
A:DG4
|
3.9
|
22.1
|
1.0
|
|
N1
|
B:DG14
|
3.9
|
16.3
|
1.0
|
|
N1
|
D:DG34
|
4.0
|
21.4
|
1.0
|
|
N1
|
C:DG24
|
4.0
|
20.8
|
1.0
|
|
C5
|
D:DG33
|
4.7
|
18.1
|
1.0
|
|
C5
|
A:DG3
|
4.7
|
20.8
|
1.0
|
|
C5
|
A:DG4
|
4.7
|
24.0
|
1.0
|
|
C5
|
B:DG13
|
4.7
|
20.2
|
1.0
|
|
C5
|
C:DG23
|
4.8
|
23.7
|
1.0
|
|
C5
|
B:DG14
|
4.9
|
17.6
|
1.0
|
|
C2
|
B:DG13
|
5.0
|
20.4
|
1.0
|
|
C5
|
D:DG34
|
5.0
|
24.2
|
1.0
|
|
C5
|
C:DG24
|
5.0
|
22.9
|
1.0
|
|
Potassium binding site 5 out
of 14 in 4r44
Go back to
Potassium Binding Sites List in 4r44
Potassium binding site 5 out
of 14 in the Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 5 of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:K101
b:18.0
occ:1.00
|
O6
|
H:DG72
|
2.6
|
25.0
|
1.0
|
|
O6
|
H:DG73
|
2.7
|
26.7
|
1.0
|
|
O6
|
G:DG62
|
2.7
|
23.2
|
1.0
|
|
O6
|
E:DG42
|
2.8
|
18.6
|
1.0
|
|
O6
|
F:DG53
|
2.8
|
24.9
|
1.0
|
|
O6
|
G:DG63
|
2.8
|
20.0
|
1.0
|
|
O6
|
E:DG43
|
2.9
|
17.4
|
1.0
|
|
O6
|
F:DG52
|
2.9
|
29.5
|
1.0
|
|
K
|
A:K103
|
3.3
|
21.3
|
1.0
|
|
K
|
F:K101
|
3.5
|
26.6
|
1.0
|
|
C6
|
H:DG72
|
3.6
|
23.9
|
1.0
|
|
C6
|
H:DG73
|
3.6
|
25.4
|
1.0
|
|
C6
|
E:DG42
|
3.6
|
18.5
|
1.0
|
|
C6
|
G:DG62
|
3.6
|
26.3
|
1.0
|
|
C6
|
F:DG52
|
3.7
|
32.6
|
1.0
|
|
N1
|
E:DG42
|
3.8
|
19.4
|
1.0
|
|
C6
|
E:DG43
|
3.8
|
19.1
|
1.0
|
|
C6
|
G:DG63
|
3.8
|
19.5
|
1.0
|
|
C6
|
F:DG53
|
3.8
|
23.3
|
1.0
|
|
N1
|
H:DG73
|
3.8
|
23.9
|
1.0
|
|
N1
|
F:DG52
|
3.8
|
35.2
|
1.0
|
|
N1
|
H:DG72
|
3.9
|
25.2
|
1.0
|
|
N1
|
G:DG62
|
3.9
|
25.8
|
1.0
|
|
N1
|
E:DG43
|
4.0
|
18.7
|
1.0
|
|
N1
|
G:DG63
|
4.1
|
18.6
|
1.0
|
|
N1
|
F:DG53
|
4.1
|
22.2
|
1.0
|
|
C5
|
H:DG72
|
4.8
|
23.6
|
1.0
|
|
C5
|
G:DG62
|
4.9
|
27.8
|
1.0
|
|
C5
|
H:DG73
|
4.9
|
25.6
|
1.0
|
|
C5
|
E:DG42
|
4.9
|
19.4
|
1.0
|
|
C5
|
F:DG52
|
5.0
|
29.6
|
1.0
|
|
O6
|
B:DG12
|
5.0
|
25.9
|
1.0
|
|
Potassium binding site 6 out
of 14 in 4r44
Go back to
Potassium Binding Sites List in 4r44
Potassium binding site 6 out
of 14 in the Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 6 of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:K102
b:22.4
occ:1.00
|
O6
|
G:DG65
|
2.7
|
34.4
|
1.0
|
|
O6
|
F:DG54
|
2.8
|
25.1
|
1.0
|
|
O6
|
F:DG55
|
2.8
|
23.4
|
1.0
|
|
O6
|
E:DG44
|
2.8
|
19.2
|
1.0
|
|
O6
|
G:DG64
|
2.8
|
24.1
|
1.0
|
|
O6
|
E:DG45
|
2.9
|
20.9
|
1.0
|
|
O6
|
H:DG75
|
2.9
|
16.7
|
1.0
|
|
O6
|
H:DG74
|
3.0
|
25.6
|
1.0
|
|
K
|
F:K101
|
3.5
|
26.6
|
1.0
|
|
C6
|
G:DG64
|
3.5
|
24.2
|
1.0
|
|
C6
|
F:DG54
|
3.6
|
24.1
|
1.0
|
|
C6
|
E:DG44
|
3.6
|
16.8
|
1.0
|
|
C6
|
H:DG74
|
3.7
|
22.2
|
1.0
|
|
C6
|
G:DG65
|
3.7
|
31.9
|
1.0
|
|
C6
|
H:DG75
|
3.7
|
19.9
|
1.0
|
|
N1
|
G:DG64
|
3.8
|
25.2
|
1.0
|
|
C6
|
E:DG45
|
3.8
|
19.6
|
1.0
|
|
N1
|
H:DG74
|
3.8
|
19.8
|
1.0
|
|
C6
|
F:DG55
|
3.8
|
23.6
|
1.0
|
|
N1
|
F:DG54
|
3.8
|
20.4
|
1.0
|
|
N1
|
E:DG44
|
3.8
|
16.9
|
1.0
|
|
N1
|
H:DG75
|
3.8
|
19.9
|
1.0
|
|
N1
|
G:DG65
|
4.0
|
33.4
|
1.0
|
|
N1
|
E:DG45
|
4.1
|
18.4
|
1.0
|
|
N1
|
F:DG55
|
4.2
|
22.8
|
1.0
|
|
C5
|
G:DG64
|
4.7
|
23.2
|
1.0
|
|
C5
|
E:DG44
|
4.7
|
16.4
|
1.0
|
|
C5
|
F:DG54
|
4.8
|
23.5
|
1.0
|
|
C5
|
H:DG74
|
4.9
|
22.6
|
1.0
|
|
C5
|
G:DG65
|
5.0
|
32.4
|
1.0
|
|
C2
|
G:DG64
|
5.0
|
24.4
|
1.0
|
|
C2
|
H:DG74
|
5.0
|
21.5
|
1.0
|
|
Potassium binding site 7 out
of 14 in 4r44
Go back to
Potassium Binding Sites List in 4r44
Potassium binding site 7 out
of 14 in the Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 7 of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:K101
b:26.6
occ:1.00
|
O6
|
F:DG53
|
2.8
|
24.9
|
1.0
|
|
O6
|
F:DG54
|
2.8
|
25.1
|
1.0
|
|
O6
|
E:DG44
|
2.8
|
19.2
|
1.0
|
|
O6
|
G:DG64
|
2.8
|
24.1
|
1.0
|
|
O6
|
E:DG43
|
2.9
|
17.4
|
1.0
|
|
O6
|
G:DG63
|
2.9
|
20.0
|
1.0
|
|
O6
|
H:DG74
|
2.9
|
25.6
|
1.0
|
|
O6
|
H:DG73
|
3.0
|
26.7
|
1.0
|
|
C6
|
F:DG53
|
3.5
|
23.3
|
1.0
|
|
K
|
E:K101
|
3.5
|
18.0
|
1.0
|
|
K
|
E:K102
|
3.5
|
22.4
|
1.0
|
|
C6
|
E:DG43
|
3.6
|
19.1
|
1.0
|
|
C6
|
F:DG54
|
3.6
|
24.1
|
1.0
|
|
C6
|
H:DG73
|
3.7
|
25.4
|
1.0
|
|
C6
|
G:DG63
|
3.7
|
19.5
|
1.0
|
|
C6
|
G:DG64
|
3.7
|
24.2
|
1.0
|
|
C6
|
E:DG44
|
3.7
|
16.8
|
1.0
|
|
N1
|
F:DG53
|
3.8
|
22.2
|
1.0
|
|
C6
|
H:DG74
|
3.8
|
22.2
|
1.0
|
|
N1
|
H:DG73
|
3.9
|
23.9
|
1.0
|
|
N1
|
F:DG54
|
3.9
|
20.4
|
1.0
|
|
N1
|
E:DG43
|
3.9
|
18.7
|
1.0
|
|
N1
|
G:DG63
|
3.9
|
18.6
|
1.0
|
|
N1
|
G:DG64
|
3.9
|
25.2
|
1.0
|
|
N1
|
E:DG44
|
4.0
|
16.9
|
1.0
|
|
N1
|
H:DG74
|
4.1
|
19.8
|
1.0
|
|
C5
|
F:DG53
|
4.6
|
25.2
|
1.0
|
|
C5
|
E:DG43
|
4.8
|
20.1
|
1.0
|
|
C5
|
H:DG73
|
4.8
|
25.6
|
1.0
|
|
C5
|
G:DG63
|
4.9
|
20.0
|
1.0
|
|
C5
|
F:DG54
|
4.9
|
23.5
|
1.0
|
|
C5
|
E:DG44
|
5.0
|
16.4
|
1.0
|
|
C5
|
G:DG64
|
5.0
|
23.2
|
1.0
|
|
C2
|
F:DG53
|
5.0
|
25.7
|
1.0
|
|
Potassium binding site 8 out
of 14 in 4r44
Go back to
Potassium Binding Sites List in 4r44
Potassium binding site 8 out
of 14 in the Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 8 of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:K101
b:26.6
occ:1.00
|
O6
|
I:DG3
|
2.6
|
21.3
|
1.0
|
|
O6
|
J:DG13
|
2.6
|
26.7
|
1.0
|
|
O6
|
K:DG23
|
2.6
|
25.2
|
1.0
|
|
O6
|
L:DG33
|
2.7
|
31.5
|
1.0
|
|
O6
|
L:DG32
|
2.9
|
34.5
|
1.0
|
|
O6
|
K:DG22
|
2.9
|
29.3
|
1.0
|
|
O6
|
J:DG12
|
2.9
|
26.3
|
1.0
|
|
O6
|
I:DG2
|
2.9
|
27.8
|
1.0
|
|
K
|
P:K101
|
3.3
|
12.6
|
1.0
|
|
K
|
J:K102
|
3.5
|
34.5
|
1.0
|
|
C6
|
I:DG3
|
3.5
|
24.9
|
1.0
|
|
C6
|
J:DG13
|
3.6
|
28.4
|
1.0
|
|
C6
|
K:DG23
|
3.6
|
28.7
|
1.0
|
|
C6
|
J:DG12
|
3.6
|
28.5
|
1.0
|
|
C6
|
L:DG32
|
3.6
|
32.1
|
1.0
|
|
C6
|
L:DG33
|
3.6
|
25.5
|
1.0
|
|
C6
|
K:DG22
|
3.6
|
31.1
|
1.0
|
|
C6
|
I:DG2
|
3.7
|
27.6
|
1.0
|
|
N1
|
J:DG12
|
3.8
|
26.2
|
1.0
|
|
N1
|
I:DG3
|
3.8
|
22.5
|
1.0
|
|
N1
|
L:DG32
|
3.9
|
31.4
|
1.0
|
|
N1
|
I:DG2
|
3.9
|
25.6
|
1.0
|
|
N1
|
K:DG23
|
3.9
|
27.8
|
1.0
|
|
N1
|
K:DG22
|
3.9
|
36.3
|
1.0
|
|
N1
|
J:DG13
|
4.0
|
26.2
|
1.0
|
|
N1
|
L:DG33
|
4.0
|
23.1
|
1.0
|
|
C5
|
J:DG13
|
4.8
|
27.7
|
1.0
|
|
C5
|
I:DG3
|
4.8
|
26.8
|
1.0
|
|
C5
|
L:DG32
|
4.8
|
31.8
|
1.0
|
|
C5
|
K:DG22
|
4.8
|
31.7
|
1.0
|
|
C5
|
K:DG23
|
4.8
|
29.6
|
1.0
|
|
C5
|
L:DG33
|
4.8
|
26.1
|
1.0
|
|
C5
|
J:DG12
|
4.9
|
27.1
|
1.0
|
|
C5
|
I:DG2
|
4.9
|
27.5
|
1.0
|
|
C2
|
J:DG12
|
5.0
|
27.8
|
1.0
|
|
Potassium binding site 9 out
of 14 in 4r44
Go back to
Potassium Binding Sites List in 4r44
Potassium binding site 9 out
of 14 in the Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 9 of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:K101
b:31.3
occ:1.00
|
O6
|
J:DG14
|
2.6
|
28.4
|
1.0
|
|
O6
|
I:DG4
|
2.7
|
31.4
|
1.0
|
|
O6
|
J:DG15
|
2.7
|
35.1
|
1.0
|
|
O6
|
K:DG25
|
2.8
|
33.4
|
1.0
|
|
O6
|
L:DG35
|
2.8
|
33.8
|
1.0
|
|
O6
|
I:DG5
|
3.0
|
38.5
|
1.0
|
|
O6
|
K:DG24
|
3.0
|
20.3
|
1.0
|
|
O6
|
L:DG34
|
3.0
|
29.7
|
1.0
|
|
C6
|
J:DG14
|
3.3
|
27.6
|
1.0
|
|
K
|
J:K102
|
3.5
|
34.5
|
1.0
|
|
C6
|
I:DG4
|
3.5
|
31.1
|
1.0
|
|
C6
|
L:DG35
|
3.6
|
34.6
|
1.0
|
|
C6
|
K:DG25
|
3.6
|
32.0
|
1.0
|
|
C6
|
J:DG15
|
3.6
|
36.9
|
1.0
|
|
N1
|
J:DG14
|
3.6
|
25.6
|
1.0
|
|
N1
|
L:DG35
|
3.7
|
31.5
|
1.0
|
|
C6
|
K:DG24
|
3.7
|
20.9
|
1.0
|
|
N1
|
I:DG4
|
3.8
|
26.6
|
1.0
|
|
N1
|
J:DG15
|
3.8
|
38.7
|
1.0
|
|
N1
|
K:DG25
|
3.8
|
27.5
|
1.0
|
|
C6
|
L:DG34
|
3.8
|
28.3
|
1.0
|
|
N1
|
K:DG24
|
3.8
|
18.4
|
1.0
|
|
C6
|
I:DG5
|
3.9
|
34.7
|
1.0
|
|
N1
|
L:DG34
|
4.0
|
26.2
|
1.0
|
|
N1
|
I:DG5
|
4.2
|
31.9
|
1.0
|
|
C5
|
J:DG14
|
4.5
|
29.3
|
1.0
|
|
C5
|
I:DG4
|
4.7
|
32.0
|
1.0
|
|
C2
|
J:DG14
|
4.8
|
28.8
|
1.0
|
|
C5
|
K:DG25
|
4.9
|
32.8
|
1.0
|
|
C5
|
L:DG35
|
4.9
|
33.5
|
1.0
|
|
C2
|
L:DG35
|
4.9
|
32.9
|
1.0
|
|
C5
|
J:DG15
|
4.9
|
37.6
|
1.0
|
|
C5
|
K:DG24
|
4.9
|
22.2
|
1.0
|
|
Potassium binding site 10 out
of 14 in 4r44
Go back to
Potassium Binding Sites List in 4r44
Potassium binding site 10 out
of 14 in the Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex
 Mono view
 Stereo pair view
|
|
A full contact list of Potassium with other atoms in the K binding
site number 10 of Racemic Crystal Structure of A Tetramolecular Dna G-Quadruplex within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:K102
b:34.5
occ:1.00
|
O6
|
J:DG13
|
2.4
|
26.7
|
1.0
|
|
O6
|
I:DG3
|
2.7
|
21.3
|
1.0
|
|
O6
|
J:DG14
|
2.7
|
28.4
|
1.0
|
|
O6
|
K:DG23
|
2.8
|
25.2
|
1.0
|
|
O6
|
L:DG33
|
2.8
|
31.5
|
1.0
|
|
O6
|
K:DG24
|
2.8
|
20.3
|
1.0
|
|
O6
|
L:DG34
|
2.9
|
29.7
|
1.0
|
|
O6
|
I:DG4
|
3.0
|
31.4
|
1.0
|
|
C6
|
J:DG13
|
3.3
|
28.4
|
1.0
|
|
C6
|
K:DG23
|
3.4
|
28.7
|
1.0
|
|
K
|
I:K101
|
3.5
|
26.6
|
1.0
|
|
K
|
J:K101
|
3.5
|
31.3
|
1.0
|
|
C6
|
I:DG3
|
3.5
|
24.9
|
1.0
|
|
C6
|
L:DG33
|
3.6
|
25.5
|
1.0
|
|
C6
|
J:DG14
|
3.6
|
27.6
|
1.0
|
|
N1
|
K:DG23
|
3.7
|
27.8
|
1.0
|
|
C6
|
K:DG24
|
3.7
|
20.9
|
1.0
|
|
N1
|
J:DG13
|
3.7
|
26.2
|
1.0
|
|
C6
|
L:DG34
|
3.7
|
28.3
|
1.0
|
|
C6
|
I:DG4
|
3.8
|
31.1
|
1.0
|
|
N1
|
I:DG3
|
3.8
|
22.5
|
1.0
|
|
N1
|
L:DG33
|
3.9
|
23.1
|
1.0
|
|
N1
|
K:DG24
|
3.9
|
18.4
|
1.0
|
|
N1
|
L:DG34
|
3.9
|
26.2
|
1.0
|
|
N1
|
J:DG14
|
3.9
|
25.6
|
1.0
|
|
N1
|
I:DG4
|
4.0
|
26.6
|
1.0
|
|
C5
|
J:DG13
|
4.4
|
27.7
|
1.0
|
|
C5
|
K:DG23
|
4.6
|
29.6
|
1.0
|
|
C5
|
I:DG3
|
4.7
|
26.8
|
1.0
|
|
C5
|
L:DG33
|
4.8
|
26.1
|
1.0
|
|
C2
|
K:DG23
|
4.9
|
27.5
|
1.0
|
|
C5
|
J:DG14
|
4.9
|
29.3
|
1.0
|
|
C2
|
J:DG13
|
4.9
|
24.4
|
1.0
|
|
C5
|
K:DG24
|
5.0
|
22.2
|
1.0
|
|
Reference:
P.K.Mandal,
G.W.Collie,
B.Kauffmann,
I.Huc.
Racemic Dna Crystallography. Angew.Chem.Int.Ed.Engl. 2014.
ISSN: ESSN 1521-3773
PubMed: 25358289
DOI: 10.1002/ANIE.201409014
Page generated: Mon Aug 12 11:55:31 2024
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