Potassium in PDB 1l1h: Crystal Structure of the Quadruplex Dna-Drug Complex

The structure of Crystal Structure of the Quadruplex Dna-Drug Complex, PDB code: 1l1h was solved by S.M.Haider, 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 / 1.75
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	55.451, 42.736, 26.926, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 21.9

The binding sites of Potassium atom in the Crystal Structure of the Quadruplex Dna-Drug Complex (pdb code 1l1h). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of the Quadruplex Dna-Drug Complex, PDB code: 1l1h:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in the Crystal Structure of the Quadruplex Dna-Drug Complex


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 Quadruplex Dna-Drug Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:K6014 b:10.9 occ:1.00 O6 B:DG2010 2.7 12.5 1.0 O6 B:DG2004 2.7 9.9 1.0 O6 A:DG1011 2.8 9.8 1.0 O6 A:DG1002 2.8 10.8 1.0 O6 A:DG1012 2.8 11.9 1.0 O6 A:DG1001 2.8 11.1 1.0 O6 B:DG2009 2.8 13.9 1.0 O6 B:DG2003 2.9 7.9 1.0 K A:K6015 3.3 11.9 1.0 K B:K6013 3.5 12.0 1.0 C6 A:DG1011 3.5 6.6 1.0 C6 B:DG2003 3.6 12.3 1.0 C6 B:DG2009 3.7 11.6 1.0 C6 A:DG1001 3.7 13.3 1.0 C6 B:DG2010 3.7 8.3 1.0 C6 B:DG2004 3.7 10.1 1.0 C6 A:DG1002 3.7 9.2 1.0 C6 A:DG1012 3.7 13.4 1.0 N1 A:DG1011 3.8 6.3 1.0 N1 B:DG2003 3.9 12.4 1.0 N1 B:DG2004 3.9 9.1 1.0 N1 A:DG1001 4.0 12.8 1.0 N1 B:DG2009 4.0 12.6 1.0 N1 A:DG1002 4.0 8.5 1.0 N1 A:DG1012 4.0 10.9 1.0 N1 B:DG2010 4.1 9.9 1.0 C5 A:DG1011 4.7 6.0 1.0 C5 B:DG2003 4.8 7.2 1.0 C5 B:DG2009 4.8 11.4 1.0 C5 B:DG2010 4.9 11.6 1.0 C5 A:DG1001 4.9 13.0 1.0 C5 A:DG1002 5.0 8.3 1.0

Potassium binding site 2 out of 4 in the Crystal Structure of the Quadruplex Dna-Drug Complex


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 Quadruplex Dna-Drug Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:K6015 b:11.9 occ:1.00 O6 B:DG2002 2.7 9.9 1.0 O6 A:DG1002 2.8 10.8 1.0 O6 B:DG2011 2.8 9.0 1.0 O6 A:DG1010 2.8 9.7 1.0 O6 A:DG1003 2.8 8.4 1.0 O6 A:DG1011 2.8 9.8 1.0 O6 B:DG2003 2.8 7.9 1.0 O6 B:DG2010 2.9 12.5 1.0 K A:K6014 3.3 10.9 1.0 K A:K6016 3.5 10.8 1.0 C6 A:DG1002 3.6 9.2 1.0 C6 B:DG2002 3.6 8.7 1.0 C6 A:DG1010 3.6 10.9 1.0 C6 B:DG2011 3.7 11.9 1.0 C6 B:DG2010 3.8 8.3 1.0 C6 A:DG1003 3.8 7.4 1.0 C6 A:DG1011 3.8 6.6 1.0 C6 B:DG2003 3.8 12.3 1.0 N1 A:DG1002 3.8 8.5 1.0 N1 A:DG1010 3.9 6.9 1.0 N1 B:DG2002 3.9 8.8 1.0 N1 B:DG2011 4.0 8.7 1.0 N1 A:DG1003 4.1 8.5 1.0 N1 A:DG1011 4.1 6.3 1.0 N1 B:DG2010 4.1 9.9 1.0 N1 B:DG2003 4.2 12.4 1.0 C5 A:DG1002 4.7 8.3 1.0 C5 B:DG2002 4.7 4.0 1.0 C5 A:DG1010 4.8 13.6 1.0 C5 B:DG2010 4.9 11.6 1.0 C5 B:DG2011 4.9 10.2 1.0

Potassium binding site 3 out of 4 in the Crystal Structure of the Quadruplex Dna-Drug Complex


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 Quadruplex Dna-Drug Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:K6016 b:10.8 occ:1.00 O6 A:DG1009 2.6 9.2 1.0 O6 B:DG2012 2.6 15.8 1.0 O6 A:DG1004 2.7 10.8 1.0 O6 B:DG2001 2.7 10.1 1.0 O6 B:DG2002 2.9 9.9 1.0 O6 A:DG1010 2.9 9.7 1.0 O6 A:DG1003 3.0 8.4 1.0 O6 B:DG2011 3.0 9.0 1.0 K A:K6015 3.5 11.9 1.0 C6 A:DG1009 3.6 13.2 1.0 C6 B:DG2012 3.6 8.9 1.0 C6 B:DG2001 3.6 8.5 1.0 C6 B:DG2002 3.7 8.7 1.0 C6 A:DG1004 3.7 7.1 1.0 C6 A:DG1003 3.7 7.4 1.0 C6 A:DG1010 3.8 10.9 1.0 C6 B:DG2011 3.8 11.9 1.0 N1 B:DG2001 3.8 9.3 1.0 N1 A:DG1009 3.9 10.8 1.0 N1 B:DG2012 3.9 8.1 1.0 N1 B:DG2002 4.0 8.8 1.0 N1 A:DG1004 4.0 8.8 1.0 N1 A:DG1003 4.0 8.5 1.0 N1 A:DG1010 4.0 6.9 1.0 N1 B:DG2011 4.1 8.7 1.0 O2 A:DT1006 4.4 12.7 1.0 C5 A:DG1009 4.8 13.1 1.0 C5 A:DG1003 4.9 10.1 1.0 C5 B:DG2012 4.9 11.0 1.0 C5 B:DG2001 4.9 5.1 1.0 C5 B:DG2002 5.0 4.0 1.0 C5 A:DG1010 5.0 13.6 1.0 C5 B:DG2011 5.0 10.2 1.0

Potassium binding site 4 out of 4 in the Crystal Structure of the Quadruplex Dna-Drug Complex


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 Quadruplex Dna-Drug Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:K6013 b:12.0 occ:1.00 O2 B:DT2007 2.6 13.3 1.0 O B:HOH9218 2.7 31.4 1.0 O2 B:DT2005 2.8 10.3 1.0 O6 A:DG1012 2.8 11.9 1.0 O6 B:DG2009 2.8 13.9 1.0 O6 B:DG2004 2.8 9.9 1.0 O6 A:DG1001 3.0 11.1 1.0 O B:HOH9006 3.0 14.6 1.0 C2 B:DT2007 3.4 10.9 1.0 K A:K6014 3.5 10.9 1.0 C6 A:DG1012 3.5 13.4 1.0 C6 B:DG2004 3.6 10.1 1.0 C6 B:DG2009 3.7 11.6 1.0 C2 B:DT2005 3.7 13.8 1.0 N3 B:DT2007 3.7 10.2 1.0 C6 A:DG1001 3.8 13.3 1.0 N1 A:DG1012 3.9 10.9 1.0 N3 B:DT2005 3.9 17.1 1.0 N1 B:DG2009 3.9 12.6 1.0 N1 B:DG2004 4.0 9.1 1.0 N1 A:DG1001 4.1 12.8 1.0 O2 B:DT2006 4.5 16.1 1.0 C5 B:DG2004 4.6 16.5 1.0 N1 B:DT2007 4.6 9.9 1.0 C5 A:DG1012 4.7 12.5 1.0 C5 B:DG2009 4.9 11.4 1.0 C2 B:DT2006 4.9 13.8 1.0

S.M.Haider, G.N.Parkinson, S.Neidle. Structure of A G-Quadruplex-Ligand Complex J.Mol.Biol. V. 326 117 2003.
ISSN: ISSN 0022-2836
PubMed: 12547195
DOI: 10.1016/S0022-2836(02)01354-2