Potassium in PDB 5ccw: Structure of the Complex of A Human Telomeric Dna with Au(Caffein-2- Ylidene)2

The structure of Structure of the Complex of A Human Telomeric Dna with Au(Caffein-2- Ylidene)2, PDB code: 5ccw was solved by M.Ferraroni, C.Bazzicalupi, P.Gratteri, L.Messori, F.Papi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.89
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.129, 51.286, 58.768, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 26

The structure of Structure of the Complex of A Human Telomeric Dna with Au(Caffein-2- Ylidene)2 also contains other interesting chemical elements:

Gold

(Au)

3 atoms

The binding sites of Potassium atom in the Structure of the Complex of A Human Telomeric Dna with Au(Caffein-2- Ylidene)2 (pdb code 5ccw). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Structure of the Complex of A Human Telomeric Dna with Au(Caffein-2- Ylidene)2, PDB code: 5ccw:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in the Structure of the Complex of A Human Telomeric Dna with Au(Caffein-2- Ylidene)2


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of the Complex of A Human Telomeric Dna with Au(Caffein-2- Ylidene)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:K101 b:35.4 occ:1.00 O6 A:DG3 2.7 33.7 1.0 O6 A:DG15 2.7 33.7 1.0 O6 A:DG21 2.8 33.3 1.0 O6 A:DG10 2.9 38.1 1.0 O6 A:DG4 2.9 34.0 1.0 O6 A:DG16 2.9 35.2 1.0 O6 A:DG9 2.9 39.3 1.0 O6 A:DG22 3.2 34.4 1.0 C6 A:DG3 3.5 32.6 1.0 C6 A:DG15 3.6 33.3 1.0 C6 A:DG21 3.6 32.5 1.0 N1 A:DG3 3.6 28.5 1.0 K A:K102 3.7 34.4 1.0 C6 A:DG4 3.7 35.7 1.0 C6 A:DG9 3.7 36.7 1.0 C6 A:DG16 3.8 32.1 1.0 C6 A:DG10 3.8 32.9 1.0 N1 A:DG15 3.9 31.8 1.0 N1 A:DG21 3.9 32.6 1.0 N1 A:DG4 4.0 34.5 1.0 N1 A:DG9 4.0 34.1 1.0 C6 A:DG22 4.0 31.7 1.0 N1 A:DG16 4.1 31.4 1.0 N1 A:DG10 4.2 31.0 1.0 N1 A:DG22 4.2 29.0 1.0 C5 A:DG3 4.8 32.6 1.0 C5 A:DG15 4.9 31.0 1.0 C5 A:DG21 4.9 32.5 1.0 C3 A:51O105 4.9 36.8 0.5 C5 A:DG4 4.9 34.3 1.0 C2 A:DG3 4.9 31.5 1.0 C5 A:DG9 4.9 34.7 1.0 C3 A:51O104 5.0 35.3 0.5 C5 A:DG16 5.0 31.4 1.0

Potassium binding site 2 out of 2 in the Structure of the Complex of A Human Telomeric Dna with Au(Caffein-2- Ylidene)2


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of the Complex of A Human Telomeric Dna with Au(Caffein-2- Ylidene)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:K102 b:34.4 occ:1.00 O6 A:DG5 2.7 34.6 1.0 O6 A:DG11 2.7 33.1 1.0 O6 A:DG22 2.8 34.4 1.0 O6 A:DG16 2.8 35.2 1.0 O6 A:DG4 2.8 34.0 1.0 O6 A:DG23 2.8 34.2 1.0 O6 A:DG17 2.9 32.7 1.0 O6 A:DG10 3.0 38.1 1.0 C6 A:DG22 3.6 31.7 1.0 C6 A:DG16 3.6 32.1 1.0 C6 A:DG5 3.7 31.7 1.0 K A:K101 3.7 35.4 1.0 C6 A:DG4 3.7 35.7 1.0 C6 A:DG11 3.7 32.6 1.0 C6 A:DG23 3.7 31.4 1.0 C6 A:DG10 3.8 32.9 1.0 N1 A:DG16 3.9 31.4 1.0 C6 A:DG17 3.9 33.8 1.0 N1 A:DG23 3.9 30.1 1.0 N1 A:DG22 3.9 29.0 1.0 N1 A:DG5 4.0 34.1 1.0 N1 A:DG11 4.0 31.8 1.0 N1 A:DG4 4.0 34.5 1.0 N1 A:DG10 4.2 31.0 1.0 N1 A:DG17 4.2 31.6 1.0 C3 A:51O103 4.4 28.6 0.5 C5 A:DG22 4.8 31.6 1.0 C5 A:DG16 4.8 31.4 1.0 C5 A:DG4 4.9 34.3 1.0 N2 A:51O103 4.9 29.8 0.5 C5 A:DG5 4.9 32.4 1.0 C5 A:DG10 4.9 33.0 1.0

C.Bazzicalupi, M.Ferraroni, F.Papi, L.Massai, B.Bertrand, L.Messori, P.Gratteri, A.Casini. Determinants For Tight and Selective Binding of A Medicinal Dicarbene Gold(I) Complex to A Telomeric Dna G-Quadruplex: A Joint Esi Ms and Xrd Investigation. Angew.Chem.Int.Ed.Engl. V. 55 4256 2016.
ISSN: ESSN 1521-3773
PubMed: 26929051
DOI: 10.1002/ANIE.201511999