Potassium in PDB 6p45: Crystal Structure of the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX

The structure of Crystal Structure of the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX, PDB code: 6p45 was solved by L.A.Yatsunyk, L.Y.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.34 / 2.34
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	59.280, 59.280, 63.332, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 22.4

The binding sites of Potassium atom in the Crystal Structure of the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX (pdb code 6p45). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the Crystal Structure of the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX, PDB code: 6p45:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in the Crystal Structure of the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX


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 the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX within 5.0Å range: probe atom residue distance (Å) B Occ A:K101 b:66.9 occ:1.00 O6 A:DG4 2.5 66.7 1.0 O6 A:DG8 2.7 63.3 1.0 O6 A:DG9 2.8 61.1 1.0 O6 A:DG3 2.8 57.4 1.0 O6 A:DG13 2.8 62.6 1.0 O6 A:DG19 2.9 65.5 1.0 O6 A:DG14 2.9 65.4 1.0 O6 A:DG18 3.0 77.9 1.0 K A:K102 3.2 59.2 1.0 C6 A:DG4 3.5 72.4 1.0 C6 A:DG8 3.5 65.0 1.0 C6 A:DG3 3.5 68.0 1.0 C6 A:DG13 3.7 60.5 1.0 N1 A:DG3 3.7 76.1 1.0 C6 A:DG18 3.7 73.9 1.0 C6 A:DG19 3.7 79.8 1.0 N1 A:DG4 3.8 75.2 1.0 C6 A:DG9 3.8 64.3 1.0 N1 A:DG8 3.8 58.9 1.0 N1 A:DG18 3.8 73.5 1.0 C6 A:DG14 3.8 75.2 1.0 N1 A:DG19 3.9 73.4 1.0 N1 A:DG13 4.0 63.6 1.0 N1 A:DG14 4.1 82.1 1.0 N1 A:DG9 4.1 61.3 1.0 C1 A:MMP104 4.2 80.3 1.0 C5 A:DG8 4.7 66.5 1.0 C5 A:DG3 4.7 62.9 1.0 C5 A:DG4 4.8 74.8 1.0 C5 A:DG13 4.9 65.9 1.0 C5 A:DG18 4.9 76.4 1.0 C2 A:DG3 4.9 73.5 1.0

Potassium binding site 2 out of 5 in the Crystal Structure of the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX


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 the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX within 5.0Å range: probe atom residue distance (Å) B Occ A:K102 b:59.2 occ:1.00 O6 A:DG8 2.6 63.3 1.0 O6 A:DG18 2.7 77.9 1.0 O6 A:DG17 2.7 63.8 1.0 O6 A:DG3 2.7 57.4 1.0 O6 A:DG13 2.8 62.6 1.0 O6 A:DG12 2.8 68.1 1.0 O6 A:DG7 2.8 64.4 1.0 O6 A:DG2 3.0 68.6 1.0 K A:K101 3.2 66.9 1.0 K A:K103 3.4 65.5 1.0 C6 A:DG17 3.5 65.9 1.0 C6 A:DG8 3.6 65.0 1.0 C6 A:DG18 3.6 73.9 1.0 C6 A:DG12 3.6 56.0 1.0 C6 A:DG3 3.6 68.0 1.0 C6 A:DG13 3.6 60.5 1.0 C6 A:DG7 3.7 61.3 1.0 C6 A:DG2 3.7 71.0 1.0 N1 A:DG18 3.8 73.5 1.0 N1 A:DG17 3.8 58.0 1.0 N1 A:DG12 3.8 58.3 1.0 N1 A:DG8 3.8 58.9 1.0 N1 A:DG2 3.8 65.1 1.0 N1 A:DG13 3.9 63.6 1.0 N1 A:DG3 3.9 76.1 1.0 N1 A:DG7 4.0 55.6 1.0 C5 A:DG17 4.8 66.3 1.0 C5 A:DG12 4.8 56.6 1.0 C5 A:DG8 4.8 66.5 1.0 C5 A:DG18 4.9 76.4 1.0 C5 A:DG7 4.9 59.5 1.0 C5 A:DG13 4.9 65.9 1.0 C5 A:DG3 4.9 62.9 1.0 C5 A:DG2 4.9 71.4 1.0

Potassium binding site 3 out of 5 in the Crystal Structure of the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX


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 the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX within 5.0Å range: probe atom residue distance (Å) B Occ A:K103 b:65.5 occ:1.00 O6 B:DG7 2.7 56.4 1.0 O6 A:DG12 2.7 68.1 1.0 O6 A:DG7 2.8 64.4 1.0 O6 A:DG17 2.8 63.8 1.0 O6 B:DG2 2.8 62.8 1.0 O6 B:DG12 2.9 55.2 1.0 O6 A:DG2 2.9 68.6 1.0 O6 B:DG17 3.0 64.9 1.0 K B:K101 3.3 58.4 1.0 K A:K102 3.4 59.2 1.0 C6 A:DG12 3.5 56.0 1.0 C6 B:DG7 3.5 56.8 1.0 C6 A:DG17 3.6 65.9 1.0 C6 A:DG7 3.6 61.3 1.0 C6 B:DG2 3.7 59.0 1.0 N1 A:DG12 3.7 58.3 1.0 N1 B:DG7 3.7 50.4 1.0 C6 B:DG17 3.7 70.3 1.0 C6 B:DG12 3.8 63.4 1.0 C6 A:DG2 3.8 71.0 1.0 N1 B:DG2 3.8 54.7 1.0 N1 B:DG17 3.9 64.7 1.0 N1 A:DG7 3.9 55.6 1.0 N1 A:DG17 3.9 58.0 1.0 N1 A:DG2 4.0 65.1 1.0 N1 B:DG12 4.0 68.1 1.0 C5 A:DG12 4.7 56.6 1.0 C5 B:DG7 4.7 58.5 1.0 C5 A:DG17 4.8 66.3 1.0 C5 A:DG7 4.9 59.5 1.0 C2 A:DG12 4.9 68.4 1.0 C5 B:DG2 5.0 68.2 1.0 C2 B:DG7 5.0 62.7 1.0 C5 B:DG17 5.0 63.7 1.0

Potassium binding site 4 out of 5 in the Crystal Structure of the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX


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 the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX within 5.0Å range: probe atom residue distance (Å) B Occ B:K101 b:58.4 occ:1.00 O6 B:DG18 2.6 80.7 1.0 O6 B:DG3 2.7 67.0 1.0 O6 B:DG13 2.7 57.1 1.0 O6 B:DG8 2.7 57.8 1.0 O6 B:DG7 2.8 56.4 1.0 O6 B:DG17 2.8 64.9 1.0 O6 B:DG2 2.9 62.8 1.0 O6 B:DG12 3.0 55.2 1.0 K A:K103 3.3 65.5 1.0 K B:K102 3.3 60.0 1.0 C6 B:DG18 3.6 67.8 1.0 C6 B:DG7 3.6 56.8 1.0 C6 B:DG3 3.6 65.2 1.0 C6 B:DG13 3.6 63.8 1.0 C6 B:DG17 3.6 70.3 1.0 C6 B:DG8 3.6 61.6 1.0 C6 B:DG2 3.6 59.0 1.0 N1 B:DG2 3.8 54.7 1.0 N1 B:DG17 3.8 64.7 1.0 N1 B:DG3 3.8 60.5 1.0 C6 B:DG12 3.8 63.4 1.0 N1 B:DG18 3.8 65.8 1.0 N1 B:DG7 3.8 50.4 1.0 N1 B:DG8 3.8 59.8 1.0 N1 B:DG13 3.9 66.5 1.0 N1 B:DG12 4.0 68.1 1.0 C5 B:DG7 4.8 58.5 1.0 C5 B:DG18 4.8 68.1 1.0 C5 B:DG2 4.9 68.2 1.0 C5 B:DG3 4.9 58.1 1.0 C5 B:DG13 4.9 61.0 1.0 C5 B:DG17 4.9 63.7 1.0 C5 B:DG8 4.9 62.9 1.0 C2 B:DG2 5.0 64.7 1.0

Potassium binding site 5 out of 5 in the Crystal Structure of the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX


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 the G-Quadruplex Formed By (Tgggt)4 in Complex with N-Methylmesoporphryin IX within 5.0Å range: probe atom residue distance (Å) B Occ B:K102 b:60.0 occ:1.00 O6 B:DG4 2.7 62.9 1.0 O6 B:DG14 2.7 70.2 1.0 O6 B:DG19 2.7 60.2 1.0 O6 B:DG9 2.8 58.6 1.0 O6 B:DG13 2.8 57.1 1.0 O6 B:DG3 2.8 67.0 1.0 O6 B:DG8 2.9 57.8 1.0 O6 B:DG18 2.9 80.7 1.0 K B:K101 3.3 58.4 1.0 C6 B:DG8 3.6 61.6 1.0 C6 B:DG3 3.6 65.2 1.0 C6 B:DG18 3.6 67.8 1.0 C6 B:DG4 3.6 67.6 1.0 C6 B:DG13 3.6 63.8 1.0 C6 B:DG19 3.7 60.6 1.0 C6 B:DG14 3.7 72.1 1.0 C6 B:DG9 3.8 60.7 1.0 N1 B:DG8 3.8 59.8 1.0 N1 B:DG18 3.8 65.8 1.0 N1 B:DG3 3.8 60.5 1.0 N1 B:DG19 3.9 59.9 1.0 N1 B:DG4 3.9 64.5 1.0 N1 B:DG13 4.0 66.5 1.0 N1 B:DG14 4.0 79.7 1.0 N1 B:DG9 4.1 59.4 1.0 C5 B:DG8 4.8 62.9 1.0 N2 B:MMP103 4.8 91.8 1.0 C5 B:DG3 4.8 58.1 1.0 C5 B:DG18 4.8 68.1 1.0 C5 B:DG13 4.8 61.0 1.0 C5 B:DG4 4.9 66.8 1.0 C5 B:DG19 5.0 69.1 1.0

L.A.Yatsunyk, L.Y.Lin, B.Powell. Biophysical and X-Ray Structural Characterization of the (Gggtt)3GGG G-Quadruplex in Complex with N-Methylmesoporphryin IX To Be Published.