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Potassium in PDB 3eui: A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell

Protein crystallography data

The structure of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell, PDB code: 3eui was solved by N.H.Campbell, G.Parkinson, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.68 / 2.20
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.356, 42.542, 48.636, 90.00, 90.00, 90.00
R / Rfree (%) 23.4 / 28.5

Potassium Binding Sites:

The binding sites of Potassium atom in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell (pdb code 3eui). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell, PDB code: 3eui:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 3eui

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Potassium binding site 1 out of 8 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K50

b:21.1
occ:1.00
 O6 B:DG16 2.7 22.4 1.0
O6 A:DG12 2.7 13.1 1.0
O6 A:DG1 2.8 12.2 1.0
O6 A:DG11 2.8 7.0 1.0
O6 B:DG21 2.8 12.8 1.0
O6 A:DG2 2.8 13.5 1.0
O6 B:DG22 2.9 14.5 1.0
O6 B:DG15 3.0 9.6 1.0
K A:K51 3.5 18.2 1.0
K B:K49 3.5 20.9 1.0
C6 A:DG11 3.6 8.3 1.0
C6 B:DG16 3.6 20.3 1.0
C6 A:DG1 3.6 12.1 1.0
C6 A:DG12 3.7 13.5 1.0
C6 B:DG15 3.8 11.4 1.0
C6 A:DG2 3.8 14.8 1.0
C6 B:DG21 3.8 11.0 1.0
N1 B:DG16 3.8 17.7 1.0
C6 B:DG22 3.8 10.6 1.0
N1 A:DG11 3.9 6.5 1.0
N1 A:DG1 3.9 9.9 1.0
N1 A:DG12 4.0 9.6 1.0
N1 B:DG15 4.0 11.8 1.0
N1 B:DG22 4.1 9.4 1.0
N1 A:DG2 4.2 15.6 1.0
N1 B:DG21 4.2 10.9 1.0
C5 A:DG11 4.7 7.5 1.0
C5 A:DG1 4.9 14.1 1.0
C5 B:DG15 4.9 11.1 1.0
C5 A:DG2 4.9 14.4 1.0
C5 B:DG16 5.0 19.2 1.0
C5 A:DG12 5.0 14.4 1.0
C5 B:DG21 5.0 13.4 1.0

Potassium binding site 2 out of 8 in 3eui

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Potassium binding site 2 out of 8 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K51

b:18.2
occ:1.00
 O6 A:DG2 2.6 13.5 1.0
O6 A:DG10 2.6 18.6 1.0
O6 B:DG23 2.8 10.8 1.0
O6 B:DG22 2.8 14.5 1.0
O6 B:DG14 2.8 8.9 1.0
O6 A:DG11 2.9 7.0 1.0
O6 A:DG3 3.0 20.1 1.0
O6 B:DG15 3.0 9.6 1.0
K A:K50 3.5 21.1 1.0
C6 A:DG2 3.5 14.8 1.0
C6 A:DG10 3.5 16.0 1.0
K A:K52 3.5 21.5 1.0
C6 B:DG14 3.6 10.8 1.0
C6 B:DG23 3.6 12.9 1.0
C6 B:DG22 3.7 10.6 1.0
N1 A:DG10 3.8 14.9 1.0
C6 A:DG11 3.8 8.3 1.0
N1 A:DG2 3.9 15.6 1.0
N1 B:DG23 3.9 12.8 1.0
N1 B:DG14 4.0 10.0 1.0
C6 A:DG3 4.0 19.1 1.0
C6 B:DG15 4.0 11.4 1.0
N1 B:DG22 4.0 9.4 1.0
N1 A:DG11 4.1 6.5 1.0
N1 A:DG3 4.4 18.4 1.0
N1 B:DG15 4.4 11.8 1.0
C5 A:DG2 4.6 14.4 1.0
C5 A:DG10 4.7 15.2 1.0
C5 B:DG14 4.8 11.8 1.0
C5 B:DG22 4.8 11.6 1.0
C5 B:DG23 4.9 14.4 1.0

Potassium binding site 3 out of 8 in 3eui

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Potassium binding site 3 out of 8 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K52

b:21.5
occ:1.00
 O6 A:DG4 2.7 13.7 1.0
O6 B:DG13 2.7 16.8 1.0
O6 A:DG9 2.7 12.7 1.0
O6 B:DG14 2.8 8.9 1.0
O6 A:DG3 2.8 20.1 1.0
O6 A:DG10 3.0 18.6 1.0
O6 B:DG24 3.0 13.5 1.0
O6 B:DG23 3.1 10.8 1.0
K A:K51 3.5 18.2 1.0
C6 B:DG13 3.6 16.1 1.0
C6 B:DG14 3.6 10.8 1.0
C6 A:DG4 3.6 15.5 1.0
C6 A:DG9 3.7 13.0 1.0
C6 A:DG3 3.7 19.1 1.0
N1 A:DG4 3.8 15.1 1.0
C6 A:DG10 3.8 16.0 1.0
N1 B:DG13 3.8 15.6 1.0
N1 B:DG14 3.9 10.0 1.0
C6 B:DG23 3.9 12.9 1.0
C6 B:DG24 3.9 14.1 1.0
N1 A:DG10 4.0 14.9 1.0
N1 A:DG9 4.1 12.7 1.0
N1 B:DG24 4.1 11.7 1.0
N1 A:DG3 4.1 18.4 1.0
N1 B:DG23 4.1 12.8 1.0
O2 A:DT6 4.5 9.0 1.0
C5 A:DG3 4.8 19.2 1.0
C5 B:DG13 4.8 16.4 1.0
C5 B:DG14 4.8 11.8 1.0
C5 A:DG9 4.9 13.9 1.0
C5 A:DG4 5.0 14.1 1.0

Potassium binding site 4 out of 8 in 3eui

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Potassium binding site 4 out of 8 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K49

b:20.9
occ:1.00
 O B:HOH66 2.6 29.4 1.0
O2 B:DT19 2.6 20.2 1.0
O6 A:DG12 2.6 13.1 1.0
O2 B:DT17 2.7 14.7 1.0
O6 B:DG16 2.8 22.4 1.0
O6 A:DG1 3.1 12.2 1.0
O B:HOH65 3.2 16.5 1.0
O6 B:DG21 3.2 12.8 1.0
C6 A:DG12 3.4 13.5 1.0
C2 B:DT17 3.4 17.4 1.0
K A:K50 3.5 21.1 1.0
C2 B:DT19 3.5 17.7 1.0
N3 B:DT17 3.5 17.2 1.0
C6 B:DG16 3.6 20.3 1.0
N1 A:DG12 3.7 9.6 1.0
N3 B:DT19 3.8 18.4 1.0
N1 B:DG16 4.0 17.7 1.0
C6 A:DG1 4.0 12.1 1.0
C6 B:DG21 4.0 11.0 1.0
N1 A:DG1 4.2 9.9 1.0
N1 B:DG21 4.2 10.9 1.0
O2 B:DT18 4.2 18.4 1.0
C5 A:DG12 4.5 14.4 1.0
C5 B:DG16 4.6 19.2 1.0
C2 B:DT18 4.6 17.4 1.0
N3 B:DT18 4.7 16.5 1.0
N1 B:DT19 4.7 18.4 1.0
N1 B:DT17 4.8 18.0 1.0
C4 B:DT17 4.8 17.9 1.0
C2 A:DG12 4.9 11.8 1.0
O4' B:DT20 5.0 18.1 1.0

Potassium binding site 5 out of 8 in 3eui

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Potassium binding site 5 out of 8 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K54

b:17.5
occ:1.00
 O6 C:DG25 2.6 12.6 1.0
O6 C:DG26 2.7 16.5 1.0
O6 C:DG36 2.8 15.4 1.0
O6 D:DG45 2.8 14.3 1.0
O6 C:DG35 2.9 14.2 1.0
O6 D:DG40 2.9 15.0 1.0
O6 D:DG46 3.0 17.4 1.0
O6 D:DG39 3.0 15.6 1.0
K C:K55 3.5 11.7 1.0
C6 C:DG25 3.5 11.8 1.0
K D:K53 3.5 22.7 1.0
C6 C:DG35 3.6 15.4 1.0
C6 C:DG26 3.7 17.8 1.0
C6 D:DG45 3.7 12.8 1.0
C6 D:DG40 3.8 15.2 1.0
C6 C:DG36 3.8 18.2 1.0
N1 C:DG25 3.8 9.6 1.0
C6 D:DG46 3.8 12.7 1.0
C6 D:DG39 3.8 12.2 1.0
N1 C:DG35 3.8 14.1 1.0
N1 D:DG40 3.9 14.0 1.0
N1 D:DG46 4.0 13.2 1.0
N1 D:DG45 4.1 15.1 1.0
N1 C:DG26 4.1 17.9 1.0
N1 D:DG39 4.1 12.9 1.0
N1 C:DG36 4.1 16.3 1.0
C5 C:DG35 4.7 15.2 1.0
C5 C:DG25 4.7 11.7 1.0
C5 C:DG26 4.9 17.0 1.0
C5 D:DG45 4.9 14.2 1.0
C5 D:DG39 4.9 12.4 1.0

Potassium binding site 6 out of 8 in 3eui

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Potassium binding site 6 out of 8 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K55

b:11.7
occ:1.00
 O6 C:DG26 2.6 16.5 1.0
O6 C:DG34 2.7 20.7 1.0
O6 D:DG38 2.8 11.8 1.0
O6 C:DG35 2.8 14.2 1.0
O6 D:DG47 2.8 13.9 1.0
O6 D:DG46 2.8 17.4 1.0
O6 C:DG27 2.9 20.6 1.0
O6 D:DG39 3.0 15.6 1.0
K C:K54 3.5 17.5 1.0
C6 C:DG26 3.5 17.8 1.0
K C:K56 3.6 17.1 1.0
C6 C:DG34 3.6 18.5 1.0
C6 D:DG38 3.6 12.6 1.0
C6 D:DG46 3.7 12.7 1.0
C6 D:DG47 3.7 14.1 1.0
C6 C:DG35 3.7 15.4 1.0
N1 C:DG34 3.8 17.8 1.0
N1 C:DG26 3.9 17.9 1.0
C6 C:DG27 3.9 17.7 1.0
N1 D:DG46 3.9 13.2 1.0
N1 D:DG38 4.0 14.1 1.0
N1 C:DG35 4.0 14.1 1.0
N1 D:DG47 4.0 14.8 1.0
C6 D:DG39 4.0 12.2 1.0
N1 C:DG27 4.3 19.1 1.0
N1 D:DG39 4.4 12.9 1.0
C5 C:DG26 4.6 17.0 1.0
C5 D:DG38 4.8 13.6 1.0
C5 C:DG34 4.8 19.6 1.0
C5 D:DG46 4.9 13.4 1.0
C5 D:DG47 5.0 14.9 1.0

Potassium binding site 7 out of 8 in 3eui

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Potassium binding site 7 out of 8 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K56

b:17.1
occ:1.00
 O6 C:DG33 2.6 16.3 1.0
O6 C:DG28 2.6 15.9 1.0
O6 D:DG37 2.7 15.8 1.0
O6 D:DG48 2.8 19.1 1.0
O6 D:DG38 2.8 11.8 1.0
O6 C:DG27 3.0 20.6 1.0
O6 C:DG34 3.1 20.7 1.0
O6 D:DG47 3.1 13.9 1.0
C6 C:DG33 3.6 16.1 1.0
K C:K55 3.6 11.7 1.0
C6 C:DG28 3.6 15.5 1.0
C6 D:DG37 3.6 15.5 1.0
C6 D:DG48 3.7 18.4 1.0
C6 D:DG38 3.7 12.6 1.0
N1 C:DG28 3.8 14.9 1.0
N1 D:DG37 3.8 14.1 1.0
C6 C:DG27 3.8 17.7 1.0
N1 C:DG33 3.9 17.0 1.0
C6 D:DG47 3.9 14.1 1.0
C6 C:DG34 4.0 18.5 1.0
N1 D:DG38 4.0 14.1 1.0
N1 D:DG48 4.0 17.3 1.0
N1 D:DG47 4.1 14.8 1.0
N1 C:DG27 4.2 19.1 1.0
N1 C:DG34 4.2 17.8 1.0
O2 C:DT30 4.4 12.8 1.0
C5 C:DG33 4.8 17.9 1.0
C5 C:DG27 4.9 18.8 1.0
C5 D:DG37 4.9 15.0 1.0
C5 C:DG28 4.9 13.8 1.0
C5 D:DG48 5.0 18.6 1.0
C5 D:DG38 5.0 13.6 1.0

Potassium binding site 8 out of 8 in 3eui

Go back to Potassium Binding Sites List in 3eui
Potassium binding site 8 out of 8 in the A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of A Bimolecular Anti-Parallel-Stranded Oxytricha Nova Telomeric Quadruplex in Complex with A 3,6-Disubstituted Acridine Bsu-6042 in A Large Unit Cell within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K53

b:22.7
occ:1.00
 O2 D:DT43 2.4 20.8 1.0
O2 D:DT41 2.7 16.7 1.0
O D:HOH130 2.7 33.6 1.0
O6 C:DG36 2.8 15.4 1.0
O6 D:DG45 3.0 14.3 1.0
O6 D:DG40 3.0 15.0 1.0
O6 C:DG25 3.1 12.6 1.0
O D:HOH92 3.3 12.9 1.0
C2 D:DT43 3.4 19.6 1.0
K C:K54 3.5 17.5 1.0
C2 D:DT41 3.6 17.8 1.0
C6 C:DG36 3.6 18.2 1.0
N3 D:DT43 3.7 20.0 1.0
C6 D:DG40 3.7 15.2 1.0
N3 D:DT41 3.8 17.5 1.0
C6 D:DG45 3.8 12.8 1.0
C6 C:DG25 3.9 11.8 1.0
N1 C:DG36 3.9 16.3 1.0
N1 D:DG45 4.0 15.1 1.0
N1 C:DG25 4.1 9.6 1.0
N1 D:DG40 4.1 14.0 1.0
O2 D:DT42 4.4 21.1 1.0
N1 D:DT43 4.6 19.0 1.0
C5 C:DG36 4.7 16.9 1.0
C5 D:DG40 4.7 14.9 1.0
C2 D:DT42 4.8 19.7 1.0
N1 D:DT41 4.9 18.3 1.0
N3 D:DT42 5.0 20.5 1.0

Reference:

N.H.Campbell, M.Patel, A.B.Tofa, R.Ghosh, G.N.Parkinson, S.Neidle. Selectivity in Ligand Recognition of G-Quadruplex Loops. Biochemistry V. 48 1675 2009.
ISSN: ISSN 0006-2960
PubMed: 19173611
DOI: 10.1021/BI802233V
Page generated: Mon Aug 12 08:08:53 2024

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