Potassium in PDB 2gwq: Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit.

The structure of Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit., PDB code: 2gwq was solved by M.P.H.Lee, G.N.Parkinson, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	53.332, 53.470, 97.469, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 29.9

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Potassium atom in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit. (pdb code 2gwq). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 20 binding sites of Potassium where determined in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit., PDB code: 2gwq:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Potassium binding site 1 out of 20 in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit. within 5.0Å range: probe atom residue distance (Å) B Occ A:K102 b:15.4 occ:1.00 O6 A:DG9 2.6 13.6 1.0 O2 A:DT7 2.7 16.3 1.0 O6 B:DG24 2.7 8.3 1.0 O A:HOH118 2.8 13.6 1.0 O A:HOH117 3.0 7.9 1.0 O2 A:DT5 3.0 4.6 1.0 O6 A:DG4 3.1 12.4 1.0 O6 B:DG13 3.1 3.1 1.0 K A:K103 3.4 7.5 1.0 C6 B:DG24 3.5 9.5 1.0 C6 A:DG9 3.5 6.0 1.0 C2 A:DT7 3.5 11.1 1.0 N1 A:DG9 3.8 6.3 1.0 N1 B:DG24 3.8 7.4 1.0 C6 A:DG4 3.8 18.6 1.0 N3 A:DT7 3.9 10.1 1.0 C6 B:DG13 3.9 2.8 1.0 C2 A:DT5 3.9 9.7 1.0 N3 A:DT5 4.1 11.9 1.0 N1 B:DG13 4.1 6.4 1.0 N1 A:DG4 4.2 5.9 1.0 O2 A:DT6 4.6 12.2 1.0 C5 B:DG24 4.7 6.1 1.0 C5 A:DG9 4.7 4.6 1.0 N1 A:DT7 4.7 10.0 1.0 C5 A:DG4 4.8 9.2 1.0

Potassium binding site 2 out of 20 in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit. within 5.0Å range: probe atom residue distance (Å) B Occ A:K103 b:7.5 occ:1.00 O6 B:DG23 2.6 11.3 1.0 O6 A:DG3 2.7 11.2 1.0 O6 A:DG9 2.7 13.6 1.0 O6 A:DG4 2.7 12.4 1.0 O6 B:DG13 2.7 3.1 1.0 O6 B:DG24 2.9 8.3 1.0 O6 A:DG10 3.0 0.0 1.0 O6 B:DG14 3.0 5.2 1.0 K A:K104 3.3 9.7 1.0 K A:K102 3.4 15.4 1.0 C6 B:DG23 3.5 13.7 1.0 C6 A:DG3 3.5 8.0 1.0 C6 A:DG9 3.6 6.0 1.0 C6 A:DG4 3.6 18.6 1.0 C6 B:DG13 3.6 2.8 1.0 C6 B:DG24 3.7 9.5 1.0 C6 A:DG10 3.9 6.1 1.0 N1 A:DG3 3.9 6.6 1.0 N1 B:DG23 3.9 14.4 1.0 N1 A:DG4 3.9 5.9 1.0 N1 B:DG24 3.9 7.4 1.0 C6 B:DG14 3.9 5.4 1.0 N1 B:DG13 3.9 6.4 1.0 N1 A:DG9 4.0 6.3 1.0 N1 A:DG10 4.2 4.4 1.0 N1 B:DG14 4.2 0.0 1.0 C5 A:DG3 4.7 9.7 1.0 C5 B:DG23 4.7 13.6 1.0 C5 A:DG9 4.7 4.6 1.0 C5 B:DG13 4.9 6.4 1.0 C5 A:DG4 5.0 9.2 1.0 C5 B:DG24 5.0 6.1 1.0

Potassium binding site 3 out of 20 in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit. within 5.0Å range: probe atom residue distance (Å) B Occ A:K104 b:9.7 occ:1.00 O6 A:DG10 2.5 0.0 1.0 O6 B:DG22 2.7 9.5 1.0 O6 B:DG14 2.7 5.2 1.0 O6 A:DG2 2.7 17.4 1.0 O6 B:DG23 2.9 11.3 1.0 O6 A:DG3 2.9 11.2 1.0 O6 A:DG11 3.0 10.5 1.0 O6 B:DG15 3.1 10.4 1.0 K A:K103 3.3 7.5 1.0 C6 A:DG10 3.4 6.1 1.0 C6 B:DG22 3.4 8.9 1.0 K B:K105 3.6 9.4 1.0 C6 B:DG14 3.6 5.4 1.0 C6 A:DG2 3.7 11.8 1.0 N1 A:DG10 3.7 4.4 1.0 N1 B:DG22 3.7 6.0 1.0 C6 B:DG23 3.8 13.7 1.0 C6 A:DG11 3.9 14.1 1.0 C6 A:DG3 3.9 8.0 1.0 N1 B:DG14 4.0 0.0 1.0 C6 B:DG15 4.0 12.7 1.0 N1 A:DG2 4.1 10.6 1.0 N1 B:DG23 4.1 14.4 1.0 N1 A:DG11 4.1 10.0 1.0 N1 A:DG3 4.3 6.6 1.0 N1 B:DG15 4.4 9.1 1.0 C5 B:DG22 4.6 0.0 1.0 C5 A:DG10 4.6 7.7 1.0 C5 B:DG14 4.8 0.0 1.0 C5 A:DG2 4.8 11.6 1.0 C2 A:DG10 5.0 5.4 1.0 C2 B:DG22 5.0 12.7 1.0

Potassium binding site 4 out of 20 in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit. within 5.0Å range: probe atom residue distance (Å) B Occ B:K105 b:9.4 occ:1.00 O6 B:DG21 2.6 12.3 1.0 O6 B:DG15 2.6 10.4 1.0 O6 A:DG1 2.6 10.7 1.0 O6 A:DG12 2.7 10.9 1.0 O6 B:DG16 2.7 15.5 1.0 O6 A:DG11 2.8 10.5 1.0 O6 B:DG22 2.9 9.5 1.0 O6 A:DG2 3.1 17.4 1.0 K B:K106 3.4 15.8 1.0 C6 B:DG15 3.4 12.7 1.0 C6 B:DG21 3.5 13.0 1.0 K A:K104 3.6 9.7 1.0 C6 A:DG1 3.6 13.4 1.0 C6 A:DG11 3.6 14.1 1.0 C6 B:DG16 3.6 12.4 1.0 C6 A:DG12 3.6 3.4 1.0 C6 B:DG22 3.8 8.9 1.0 N1 B:DG15 3.8 9.1 1.0 N1 B:DG16 3.8 16.5 1.0 N1 B:DG21 3.9 4.6 1.0 N1 A:DG12 3.9 1.2 1.0 N1 A:DG1 3.9 7.0 1.0 N1 A:DG11 4.0 10.0 1.0 C6 A:DG2 4.0 11.8 1.0 N1 B:DG22 4.1 6.0 1.0 N1 A:DG2 4.2 10.6 1.0 C5 B:DG15 4.6 10.9 1.0 C5 B:DG21 4.7 9.6 1.0 C5 A:DG11 4.8 11.8 1.0 C5 A:DG1 4.8 11.1 1.0 C5 A:DG12 5.0 9.6 1.0 C5 B:DG16 5.0 9.9 1.0

Potassium binding site 5 out of 20 in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit. within 5.0Å range: probe atom residue distance (Å) B Occ B:K106 b:15.8 occ:1.00 O B:HOH171 2.5 25.8 1.0 O2 B:DT19 2.6 9.1 1.0 O6 B:DG21 2.8 12.3 1.0 O6 B:DG16 2.9 15.5 1.0 O2 B:DT17 2.9 19.5 1.0 O6 A:DG12 2.9 10.9 1.0 O B:HOH167 3.0 21.7 1.0 O6 A:DG1 3.0 10.7 1.0 K B:K105 3.4 9.4 1.0 C2 B:DT19 3.5 11.2 1.0 C6 A:DG12 3.6 3.4 1.0 C6 B:DG16 3.6 12.4 1.0 C6 B:DG21 3.6 13.0 1.0 N3 B:DT19 3.7 10.8 1.0 C2 B:DT17 3.7 15.3 1.0 C6 A:DG1 3.8 13.4 1.0 N1 A:DG12 3.9 1.2 1.0 N3 B:DT17 3.9 17.5 1.0 N1 B:DG21 3.9 4.6 1.0 N1 B:DG16 4.0 16.5 1.0 N1 A:DG1 4.1 7.0 1.0 O2 B:DT18 4.2 26.8 1.0 C5 B:DG16 4.7 9.9 1.0 C2 B:DT18 4.7 20.9 1.0 N1 B:DT19 4.7 14.9 1.0 C5 A:DG12 4.7 9.6 1.0 N3 B:DT18 4.8 19.5 1.0 C5 B:DG21 4.8 9.6 1.0 C4 B:DT19 5.0 12.4 1.0

Potassium binding site 6 out of 20 in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit. within 5.0Å range: probe atom residue distance (Å) B Occ C:K97 b:13.1 occ:1.00 O6 D:DG48 2.6 18.4 1.0 O2 C:DT31 2.7 14.2 1.0 O6 C:DG33 2.8 10.3 1.0 O C:HOH131 2.9 15.1 1.0 O C:HOH129 2.9 19.8 1.0 O2 C:DT29 3.0 14.6 1.0 O6 D:DG37 3.1 9.4 1.0 O6 C:DG28 3.1 8.5 1.0 K D:K98 3.4 7.2 1.0 C6 D:DG48 3.5 13.6 1.0 C6 C:DG33 3.5 14.1 1.0 C2 C:DT31 3.7 9.4 1.0 C2 C:DT29 3.8 18.3 1.0 N3 C:DT29 3.8 13.1 1.0 N1 C:DG33 3.8 10.2 1.0 C6 C:DG28 3.9 7.7 1.0 C6 D:DG37 3.9 10.1 1.0 N1 D:DG48 3.9 12.1 1.0 N3 C:DT31 4.0 0.0 1.0 N1 D:DG37 4.1 8.5 1.0 O2 C:DT30 4.2 12.9 1.0 N1 C:DG28 4.2 9.7 1.0 C5 D:DG48 4.5 9.2 1.0 C2 C:DT30 4.6 6.9 1.0 N3 C:DT30 4.7 6.1 1.0 C5 C:DG33 4.7 8.2 1.0 N1 C:DT31 4.8 17.5 1.0 C5 C:DG28 4.9 11.9 1.0

Potassium binding site 7 out of 20 in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit. within 5.0Å range: probe atom residue distance (Å) B Occ C:K100 b:6.1 occ:1.00 O6 C:DG25 2.6 6.0 1.0 O6 D:DG45 2.6 7.9 1.0 O6 C:DG36 2.7 11.6 1.0 O6 D:DG46 2.8 7.7 1.0 O6 D:DG39 2.8 12.3 1.0 O6 C:DG35 2.8 14.0 1.0 O6 D:DG40 2.8 14.6 1.0 O6 C:DG26 3.0 8.6 1.0 K D:K99 3.3 7.8 1.0 K D:K101 3.4 11.1 1.0 C6 C:DG25 3.5 6.6 1.0 C6 D:DG45 3.5 3.4 1.0 C6 C:DG35 3.6 11.2 1.0 C6 D:DG46 3.6 4.8 1.0 C6 D:DG39 3.7 15.3 1.0 C6 C:DG36 3.7 13.1 1.0 C6 D:DG40 3.7 8.1 1.0 N1 C:DG25 3.9 5.6 1.0 C6 C:DG26 3.9 14.9 1.0 N1 C:DG35 3.9 8.5 1.0 N1 D:DG40 3.9 11.2 1.0 N1 D:DG45 3.9 9.6 1.0 N1 D:DG46 4.0 3.2 1.0 N1 D:DG39 4.1 7.8 1.0 N1 C:DG36 4.1 5.4 1.0 N1 C:DG26 4.1 8.9 1.0 C5 D:DG45 4.7 4.0 1.0 C5 C:DG25 4.7 2.3 1.0 C5 D:DG46 4.8 13.5 1.0 C5 D:DG39 4.8 2.6 1.0 C5 C:DG35 4.8 12.6 1.0 C5 C:DG36 4.9 11.4 1.0

Potassium binding site 8 out of 20 in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit. within 5.0Å range: probe atom residue distance (Å) B Occ D:K98 b:7.2 occ:1.00 O6 D:DG47 2.5 8.3 1.0 O6 C:DG33 2.6 10.3 1.0 O6 D:DG48 2.6 18.4 1.0 O6 D:DG37 2.7 9.4 1.0 O6 C:DG27 2.8 8.0 1.0 O6 C:DG28 2.8 8.5 1.0 O6 C:DG34 2.8 5.0 1.0 O6 D:DG38 3.1 12.6 1.0 C6 D:DG47 3.4 8.4 1.0 K D:K99 3.4 7.8 1.0 K C:K97 3.4 13.1 1.0 C6 C:DG33 3.6 14.1 1.0 C6 D:DG48 3.6 13.6 1.0 C6 C:DG27 3.6 14.4 1.0 C6 D:DG37 3.6 10.1 1.0 C6 C:DG28 3.7 7.7 1.0 C6 C:DG34 3.7 9.0 1.0 N1 D:DG47 3.8 14.7 1.0 N1 C:DG28 3.9 9.7 1.0 C6 D:DG38 3.9 5.4 1.0 N1 C:DG27 3.9 12.7 1.0 N1 D:DG48 4.0 12.1 1.0 N1 C:DG33 4.0 10.2 1.0 N1 D:DG37 4.0 8.5 1.0 N1 C:DG34 4.1 3.7 1.0 N1 D:DG38 4.2 7.3 1.0 C5 D:DG47 4.6 12.2 1.0 C5 C:DG33 4.7 8.2 1.0 C5 C:DG27 4.8 10.9 1.0 C5 D:DG48 4.8 9.2 1.0 C5 D:DG37 4.9 7.9 1.0 C5 C:DG34 4.9 12.0 1.0

Potassium binding site 9 out of 20 in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit. within 5.0Å range: probe atom residue distance (Å) B Occ D:K99 b:7.8 occ:1.00 O6 D:DG46 2.6 7.7 1.0 O6 C:DG26 2.7 8.6 1.0 O6 D:DG38 2.7 12.6 1.0 O6 D:DG39 2.8 12.3 1.0 O6 C:DG34 2.9 5.0 1.0 O6 C:DG27 2.9 8.0 1.0 O6 C:DG35 2.9 14.0 1.0 O6 D:DG47 3.0 8.3 1.0 K C:K100 3.3 6.1 1.0 C6 D:DG46 3.4 4.8 1.0 K D:K98 3.4 7.2 1.0 C6 C:DG26 3.5 14.9 1.0 C6 D:DG38 3.6 5.4 1.0 N1 D:DG46 3.7 3.2 1.0 C6 C:DG34 3.7 9.0 1.0 C6 D:DG39 3.8 15.3 1.0 C6 C:DG35 3.8 11.2 1.0 N1 C:DG26 3.8 8.9 1.0 C6 C:DG27 3.9 14.4 1.0 N1 D:DG38 3.9 7.3 1.0 C6 D:DG47 3.9 8.4 1.0 N1 C:DG34 3.9 3.7 1.0 N1 C:DG35 4.1 8.5 1.0 N1 D:DG47 4.2 14.7 1.0 N1 D:DG39 4.2 7.8 1.0 N1 C:DG27 4.3 12.7 1.0 C5 D:DG46 4.7 13.5 1.0 C5 C:DG26 4.8 8.6 1.0 C5 D:DG38 4.8 2.9 1.0 C2 D:DG46 4.9 10.5 1.0 C5 C:DG34 4.9 12.0 1.0 C5 D:DG39 5.0 2.6 1.0

Potassium binding site 10 out of 20 in the Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 10 of Crystal Structure of D(G4T4G4) with Four Quadruplexes in the Asymmetric Unit. within 5.0Å range: probe atom residue distance (Å) B Occ D:K101 b:11.1 occ:1.00 O D:HOH186 2.3 31.6 1.0 O6 C:DG36 2.7 11.6 1.0 O6 D:DG45 2.7 7.9 1.0 O2 D:DT43 2.8 10.2 1.0 O D:HOH139 2.8 12.7 1.0 O6 D:DG40 3.0 14.6 1.0 O6 C:DG25 3.0 6.0 1.0 O2 D:DT41 3.0 11.7 1.0 K C:K100 3.4 6.1 1.0 C6 C:DG36 3.5 13.1 1.0 C6 D:DG45 3.5 3.4 1.0 C2 D:DT43 3.7 9.5 1.0 C6 D:DG40 3.7 8.1 1.0 C2 D:DT41 3.8 12.3 1.0 N3 D:DT41 3.8 9.2 1.0 C6 C:DG25 3.8 6.6 1.0 N1 D:DG45 3.8 9.6 1.0 N3 D:DT43 3.9 14.2 1.0 N1 C:DG36 3.9 5.4 1.0 N1 C:DG25 4.1 5.6 1.0 N1 D:DG40 4.1 11.2 1.0 O2 D:DT42 4.4 18.9 1.0 C5 C:DG36 4.7 11.4 1.0 C5 D:DG40 4.8 5.9 1.0 C5 D:DG45 4.8 4.0 1.0 C2 D:DT42 4.8 15.1 1.0 N1 D:DT43 4.9 9.0 1.0 N3 D:DT42 4.9 20.0 1.0 C5 C:DG25 5.0 2.3 1.0

M.P.H.Lee, S.Haider, G.N.Parkinson, S.Neidle. Crystal Structure of D(G4T4G4) with Four and Six Quadruplexes in the Asymmetric Unit. To Be Published.