Potassium in PDB 3cco: Structural Adaptation and Conservation in Quadruplex-Drug Recognition

The structure of Structural Adaptation and Conservation in Quadruplex-Drug Recognition, PDB code: 3cco was solved by G.N.Parkinson, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.20
Space group	P 64 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.350, 61.350, 43.630, 90.00, 90.00, 120.00
R / Rfree (%)	25.4 / 30.3

The structure of Structural Adaptation and Conservation in Quadruplex-Drug Recognition also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Potassium atom in the Structural Adaptation and Conservation in Quadruplex-Drug Recognition (pdb code 3cco). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 3 binding sites of Potassium where determined in the Structural Adaptation and Conservation in Quadruplex-Drug Recognition, PDB code: 3cco:
Jump to Potassium binding site number: 1; 2; 3;

Potassium binding site 1 out of 3 in the Structural Adaptation and Conservation in Quadruplex-Drug Recognition


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structural Adaptation and Conservation in Quadruplex-Drug Recognition within 5.0Å range: probe atom residue distance (Å) B Occ A:K30 b:12.5 occ:0.50 O6 A:DG1011 2.7 17.7 1.0 O6 A:DG1005 2.8 11.2 1.0 O6 A:DG1004 2.9 8.0 1.0 O6 A:DG1010 3.1 12.1 1.0 K A:K31 3.4 15.1 0.5 C6 A:DG1005 3.6 4.8 1.0 C6 A:DG1011 3.7 12.3 1.0 C6 A:DG1004 3.7 6.5 1.0 N1 A:DG1005 3.8 3.3 1.0 C6 A:DG1010 4.0 7.1 1.0 N1 A:DG1011 4.0 13.3 1.0 N1 A:DG1004 4.0 2.3 1.0 N1 A:DG1010 4.1 10.7 1.0 C5 A:NII1 4.8 23.4 0.5 C4 A:NII1 4.9 23.4 0.5 C5 A:DG1004 4.9 2.6 1.0 C5 A:DG1005 4.9 6.2 1.0

Potassium binding site 2 out of 3 in the Structural Adaptation and Conservation in Quadruplex-Drug Recognition


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structural Adaptation and Conservation in Quadruplex-Drug Recognition within 5.0Å range: probe atom residue distance (Å) B Occ A:K31 b:15.1 occ:0.50 O6 A:DG1003 2.9 14.2 1.0 O6 A:DG1009 3.0 8.8 1.0 O6 A:DG1004 3.0 8.0 1.0 O6 A:DG1010 3.1 12.1 1.0 K A:K32 3.3 14.6 0.2 K A:K30 3.4 12.5 0.5 C6 A:DG1003 3.7 7.8 1.0 C6 A:DG1004 3.8 6.5 1.0 C6 A:DG1009 3.9 8.0 1.0 N1 A:DG1004 3.9 2.3 1.0 C6 A:DG1010 4.0 7.1 1.0 N1 A:DG1003 4.0 7.3 1.0 N1 A:DG1009 4.1 9.1 1.0 N1 A:DG1010 4.3 10.7 1.0 C5 A:DG1003 4.7 7.1 1.0

Potassium binding site 3 out of 3 in the Structural Adaptation and Conservation in Quadruplex-Drug Recognition


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Structural Adaptation and Conservation in Quadruplex-Drug Recognition within 5.0Å range: probe atom residue distance (Å) B Occ A:K32 b:14.6 occ:0.25 O6 A:DG1003 2.9 14.2 1.0 O6 A:DG1009 2.9 8.8 1.0 K A:K31 3.3 15.1 0.5 C6 A:DG1009 3.8 8.0 1.0 C6 A:DG1003 3.8 7.8 1.0 N1 A:DG1009 4.0 9.1 1.0 N1 A:DG1003 4.1 7.3 1.0 C5 A:DG1009 4.9 5.7 1.0

G.N.Parkinson, F.Cuenca, S.Neidle. Topology Conservation and Loop Flexibility in Quadruplex-Drug Recognition: Crystal Structures of Inter- and Intramolecular Telomeric Dna Quadruplex-Drug Complexes J.Mol.Biol. V. 381 1145 2008.
ISSN: ISSN 0022-2836
PubMed: 18619463
DOI: 10.1016/J.JMB.2008.06.022