Potassium in PDB 4r45: Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1)

The structure of Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1), PDB code: 4r45 was solved by P.K.Mandal, G.W.Collie, B.Kauffmann, I.Huc, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.02 / 1.90
Space group	P -1
Cell size a, b, c (Å), α, β, γ (°)	27.646, 28.300, 45.719, 104.50, 94.19, 113.42
R / Rfree (%)	28.6 / 34

The binding sites of Potassium atom in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1) (pdb code 4r45). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 5 binding sites of Potassium where determined in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1), PDB code: 4r45:
Jump to Potassium binding site number: 1; 2; 3; 4; 5;

Potassium binding site 1 out of 5 in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1) within 5.0Å range: probe atom residue distance (Å) B Occ A:K1101 b:6.5 occ:1.00 O6 A:DG1002 2.8 7.2 1.0 O6 A:DG1003 2.8 7.0 1.0 O6 A:DG1010 2.8 7.4 1.0 O6 B:DG2002 2.8 8.2 1.0 O6 B:DG2010 2.8 8.7 1.0 O6 B:DG2003 2.8 7.6 1.0 O6 B:DG2011 2.9 9.6 1.0 O6 A:DG1011 2.9 9.4 1.0 K A:K1102 3.3 6.4 1.0 K A:K1104 3.4 6.3 1.0 C6 A:DG1002 3.6 7.7 1.0 C6 B:DG2002 3.6 8.6 1.0 C6 A:DG1010 3.6 8.5 1.0 C6 B:DG2010 3.6 9.5 1.0 C6 A:DG1003 3.8 7.3 1.0 C6 B:DG2011 3.8 10.0 1.0 C6 B:DG2003 3.8 8.1 1.0 C6 A:DG1011 3.8 9.7 1.0 N1 A:DG1002 3.9 7.6 1.0 N1 B:DG2002 3.9 8.6 1.0 N1 B:DG2010 3.9 9.3 1.0 N1 A:DG1010 3.9 8.3 1.0 N1 B:DG2011 4.1 10.3 1.0 N1 A:DG1011 4.1 9.8 1.0 N1 A:DG1003 4.2 7.3 1.0 N1 B:DG2003 4.2 8.2 1.0 C5 A:DG1002 4.8 7.7 1.0 C5 B:DG2002 4.8 9.0 1.0 C5 A:DG1010 4.8 9.0 1.0 C5 B:DG2010 4.9 10.1 1.0

Potassium binding site 2 out of 5 in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1) within 5.0Å range: probe atom residue distance (Å) B Occ A:K1102 b:6.4 occ:1.00 O6 B:DG2011 2.7 9.6 1.0 O6 B:DG2001 2.7 8.9 1.0 O6 A:DG1004 2.8 7.3 1.0 O6 A:DG1003 2.8 7.0 1.0 O6 B:DG2012 2.8 8.6 1.0 O6 A:DG1009 2.8 7.9 1.0 O6 A:DG1010 2.8 7.4 1.0 O6 B:DG2002 2.9 8.2 1.0 K A:K1101 3.3 6.5 1.0 K A:K1103 3.5 8.7 1.0 C6 B:DG2011 3.6 10.0 1.0 C6 A:DG1003 3.6 7.3 1.0 C6 B:DG2001 3.7 9.1 1.0 C6 A:DG1009 3.7 8.6 1.0 C6 A:DG1004 3.7 8.1 1.0 C6 A:DG1010 3.8 8.5 1.0 C6 B:DG2012 3.8 9.3 1.0 C6 B:DG2002 3.8 8.6 1.0 N1 A:DG1003 3.9 7.3 1.0 N1 B:DG2011 3.9 10.3 1.0 N1 B:DG2001 4.0 9.0 1.0 N1 A:DG1004 4.0 8.1 1.0 N1 A:DG1009 4.1 8.4 1.0 N1 B:DG2012 4.1 9.3 1.0 N1 A:DG1010 4.1 8.3 1.0 N1 B:DG2002 4.1 8.6 1.0 C5 B:DG2011 4.7 10.8 1.0 C5 A:DG1003 4.7 7.7 1.0 C5 B:DG2001 4.9 9.2 1.0 C5 A:DG1009 4.9 9.1 1.0 C5 A:DG1010 5.0 9.0 1.0

Potassium binding site 3 out of 5 in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1) within 5.0Å range: probe atom residue distance (Å) B Occ A:K1103 b:8.7 occ:1.00 O2 A:DT1007 2.7 9.8 1.0 O A:HOH1204 2.7 13.6 1.0 O6 B:DG2012 2.8 8.6 1.0 O2 A:DT1005 2.9 10.6 1.0 O6 A:DG1009 2.9 7.9 1.0 O6 A:DG1004 2.9 7.3 1.0 O A:HOH1202 3.0 12.9 1.0 O6 B:DG2001 3.0 8.9 1.0 K A:K1102 3.5 6.4 1.0 C6 B:DG2012 3.6 9.3 1.0 C2 A:DT1007 3.7 10.3 1.0 C6 A:DG1004 3.7 8.1 1.0 C6 A:DG1009 3.7 8.6 1.0 C2 A:DT1005 3.8 11.3 1.0 C6 B:DG2001 3.9 9.1 1.0 N3 A:DT1005 3.9 11.5 1.0 N1 B:DG2012 4.0 9.3 1.0 N3 A:DT1007 4.0 10.4 1.0 N1 A:DG1009 4.0 8.4 1.0 N1 B:DG2001 4.2 9.0 1.0 N1 A:DG1004 4.2 8.1 1.0 O2 A:DT1006 4.3 11.8 1.0 C5 A:DG1004 4.7 8.5 1.0 C5 B:DG2012 4.8 10.3 1.0 N1 A:DT1007 4.9 11.0 1.0 C5 A:DG1009 5.0 9.1 1.0 C2 A:DT1006 5.0 12.6 1.0 O4' A:DT1008 5.0 11.3 1.0

Potassium binding site 4 out of 5 in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1) within 5.0Å range: probe atom residue distance (Å) B Occ A:K1104 b:6.3 occ:1.00 O6 A:DG1001 2.7 8.0 1.0 O6 A:DG1011 2.8 9.4 1.0 O6 B:DG2003 2.8 7.6 1.0 O6 B:DG2004 2.8 9.0 1.0 O6 B:DG2009 2.8 8.6 1.0 O6 A:DG1012 2.9 9.0 1.0 O6 B:DG2010 2.9 8.7 1.0 O6 A:DG1002 2.9 7.2 1.0 K A:K1101 3.4 6.5 1.0 K B:K2101 3.5 9.1 1.0 C6 B:DG2003 3.6 8.1 1.0 C6 A:DG1011 3.6 9.7 1.0 C6 A:DG1001 3.6 8.2 1.0 C6 B:DG2004 3.7 9.4 1.0 C6 B:DG2009 3.7 9.4 1.0 C6 B:DG2010 3.8 9.5 1.0 C6 A:DG1012 3.8 10.0 1.0 C6 A:DG1002 3.8 7.7 1.0 N1 B:DG2003 3.9 8.2 1.0 N1 A:DG1011 3.9 9.8 1.0 N1 A:DG1001 4.0 8.1 1.0 N1 B:DG2004 4.0 9.5 1.0 N1 B:DG2009 4.1 9.4 1.0 N1 A:DG1012 4.1 10.2 1.0 N1 B:DG2010 4.1 9.3 1.0 N1 A:DG1002 4.1 7.6 1.0 C5 B:DG2003 4.7 8.4 1.0 C5 A:DG1011 4.7 10.6 1.0 C5 A:DG1001 4.9 8.4 1.0 C5 B:DG2009 4.9 9.9 1.0

Potassium binding site 5 out of 5 in the Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1)


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Racemic Crystal Structure of A Bimolecular Dna G-Quadruplex (P-1) within 5.0Å range: probe atom residue distance (Å) B Occ B:K2101 b:9.1 occ:1.00 O2 B:DT2007 2.7 11.4 1.0 O B:HOH2212 2.8 12.8 1.0 O6 A:DG1012 2.8 9.0 1.0 O6 B:DG2004 2.9 9.0 1.0 O6 B:DG2009 2.9 8.6 1.0 O2 B:DT2005 2.9 11.2 1.0 O B:HOH2204 2.9 14.9 1.0 O6 A:DG1001 3.0 8.0 1.0 K A:K1104 3.5 6.3 1.0 C6 A:DG1012 3.6 10.0 1.0 C2 B:DT2007 3.6 11.7 1.0 C6 B:DG2004 3.7 9.4 1.0 C6 B:DG2009 3.8 9.4 1.0 C2 B:DT2005 3.8 12.3 1.0 C6 A:DG1001 3.9 8.2 1.0 N3 B:DT2005 3.9 12.6 1.0 N3 B:DT2007 3.9 11.7 1.0 N1 A:DG1012 4.0 10.2 1.0 N1 B:DG2009 4.0 9.4 1.0 N1 A:DG1001 4.2 8.1 1.0 N1 B:DG2004 4.2 9.5 1.0 O2 B:DT2006 4.3 13.7 1.0 C5 B:DG2004 4.7 9.8 1.0 C5 A:DG1012 4.8 11.2 1.0 N1 B:DT2007 4.9 12.1 1.0 C2 B:DT2006 5.0 14.8 1.0 O4' B:DT2008 5.0 14.0 1.0

P.K.Mandal, G.W.Collie, B.Kauffmann, I.Huc. Racemic Dna Crystallography. Angew.Chem.Int.Ed.Engl. 2014.
ISSN: ESSN 1521-3773
PubMed: 25358289
DOI: 10.1002/ANIE.201409014