Potassium in PDB 6jjf: Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex

The structure of Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex, PDB code: 6jjf was solved by Y.S.Zhang, K.Ei Omari, R.Duman, A.Wagner, G.N.Parkinson, D.G.Wei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.80 / 1.47
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	45.370, 47.600, 37.730, 90.00, 110.02, 90.00
R / Rfree (%)	19.2 / 19.9

The structure of Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex also contains other interesting chemical elements:

Cobalt	(Co)	3 atoms
Sodium	(Na)	1 atom

The binding sites of Potassium atom in the Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex (pdb code 6jjf). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex, PDB code: 6jjf:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex


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 A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ A:K101 b:24.6 occ:1.00 O6 B:DG6 2.7 26.4 1.0 O6 A:DG6 2.7 26.1 1.0 O6 B:DG2 2.7 28.0 1.0 O6 A:DG2 2.8 25.8 1.0 O6 A:DG1 2.9 23.8 1.0 O6 B:DG1 2.9 22.9 1.0 O6 A:DG7 2.9 25.6 1.0 O6 B:DG7 2.9 25.1 1.0 K A:K102 3.5 23.5 1.0 C6 A:DG6 3.6 24.0 1.0 C6 B:DG6 3.6 25.5 1.0 C6 B:DG2 3.7 25.6 1.0 C6 A:DG2 3.7 24.6 1.0 C6 A:DG1 3.7 23.2 1.0 C6 B:DG1 3.7 23.6 1.0 C6 A:DG7 3.8 24.1 1.0 C6 B:DG7 3.8 26.2 1.0 N1 B:DG6 3.8 26.8 1.0 N1 A:DG6 3.9 26.1 1.0 N1 B:DG2 3.9 27.0 1.0 N1 A:DG2 4.0 23.0 1.0 N1 A:DG7 4.0 22.7 1.0 N1 B:DG7 4.1 23.9 1.0 N1 B:DG1 4.1 23.1 1.0 N1 A:DG1 4.1 23.4 1.0 C4 B:DC5 4.5 26.5 1.0 N3 B:DC5 4.6 27.3 1.0 C5 B:DC5 4.6 30.8 1.0 N4 B:DC5 4.8 29.1 1.0 C5 A:DG6 4.8 25.5 1.0 C2 B:DC5 4.8 29.2 1.0 C6 B:DC5 4.9 28.2 1.0 C5 B:DG6 4.9 25.3 1.0 C5 A:DG1 4.9 24.2 1.0 C5 B:DG1 4.9 23.9 1.0 N1 B:DC5 5.0 26.1 1.0 C5 B:DG2 5.0 27.0 1.0 C5 A:DG7 5.0 24.1 1.0

Potassium binding site 2 out of 3 in the Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex


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 A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ A:K102 b:23.5 occ:1.00 O6 B:DG7 2.8 25.1 1.0 O6 B:DG12 2.8 21.6 1.0 O6 B:DG9 2.8 23.9 1.0 O6 A:DG12 2.8 22.7 1.0 O6 B:DG1 2.8 22.9 1.0 O6 A:DG9 2.8 21.5 1.0 O6 A:DG7 2.8 25.6 1.0 O6 A:DG1 2.8 23.8 1.0 K A:K103 3.4 22.0 1.0 K A:K101 3.5 24.6 1.0 C6 A:DG9 3.6 24.0 1.0 C6 B:DG7 3.7 26.2 1.0 C6 A:DG7 3.7 24.1 1.0 C6 B:DG9 3.7 25.4 1.0 C6 B:DG1 3.7 23.6 1.0 C6 B:DG12 3.7 24.1 1.0 C6 A:DG1 3.7 23.2 1.0 C6 A:DG12 3.7 24.2 1.0 N1 A:DG9 3.9 23.3 1.0 N1 B:DG9 4.0 23.3 1.0 N1 B:DG1 4.0 23.1 1.0 N1 A:DG1 4.0 23.4 1.0 N1 A:DG7 4.0 22.7 1.0 N1 B:DG12 4.0 21.2 1.0 N1 B:DG7 4.0 23.9 1.0 N1 A:DG12 4.0 21.6 1.0 C5 B:DG7 4.8 24.6 1.0 C5 A:DG7 4.8 24.1 1.0 C5 A:DG9 4.9 23.6 1.0 C5 B:DG9 4.9 24.1 1.0 C5 B:DG1 4.9 23.9 1.0 C5 B:DG12 4.9 25.0 1.0 C5 A:DG12 4.9 23.3 1.0 C5 A:DG1 5.0 24.2 1.0

Potassium binding site 3 out of 3 in the Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex


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 A Two-Quartet Dna Mixed-Parallel/Antiparallel G- Quadruplex within 5.0Å range: probe atom residue distance (Å) B Occ A:K103 b:22.0 occ:1.00 O6 B:DG13 2.8 24.3 1.0 O6 A:DG13 2.8 23.1 1.0 O6 A:DG12 2.8 22.7 1.0 O6 B:DG12 2.9 21.6 1.0 O6 A:DG10 2.9 24.7 1.0 O6 B:DG10 2.9 22.6 1.0 O6 A:DG9 2.9 21.5 1.0 O6 B:DG9 2.9 23.9 1.0 K A:K102 3.4 23.5 1.0 NA A:NA106 3.5 27.9 1.0 C6 B:DG13 3.7 21.0 1.0 C6 A:DG13 3.7 22.0 1.0 C6 A:DG12 3.7 24.2 1.0 C6 B:DG12 3.7 24.1 1.0 C6 B:DG10 3.7 22.0 1.0 C6 A:DG10 3.7 24.8 1.0 C6 A:DG9 3.8 24.0 1.0 C6 B:DG9 3.8 25.4 1.0 N1 B:DG13 3.9 22.7 1.0 N1 A:DG13 4.0 21.9 1.0 N1 B:DG12 4.0 21.2 1.0 N1 B:DG10 4.0 22.5 1.0 N1 A:DG12 4.0 21.6 1.0 N1 A:DG10 4.0 24.3 1.0 N1 B:DG9 4.1 23.3 1.0 N1 A:DG9 4.1 23.3 1.0 C5 B:DG10 4.9 21.9 1.0 C5 A:DG10 4.9 22.6 1.0 C5 B:DG13 4.9 20.0 1.0 C5 A:DG12 4.9 23.3 1.0 C5 B:DG12 4.9 25.0 1.0 C5 A:DG13 4.9 22.7 1.0

Y.S.Zhang, K.Ei Omari, R.Duman, A.Wagner, G.N.Parkinson, D.G.Wei. Crystal Structure of A Two-Quartet Dna Mixed-Parallel/Antiparallel G-Quadruplex To Be Published.