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Potassium in PDB 6h5r: Structure of the Complex of A Human Telomeric Dna with Bis(1-Butyl-3- Methyl-Imidazole-2-Ylidene) Gold(I)

Protein crystallography data

The structure of Structure of the Complex of A Human Telomeric Dna with Bis(1-Butyl-3- Methyl-Imidazole-2-Ylidene) Gold(I), PDB code: 6h5r was solved by C.Bazzicalupi, P.Gratteri, F.Papi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.69 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 36.600, 71.370, 27.050, 90.00, 92.42, 90.00
R / Rfree (%) 22.8 / 25.3

Other elements in 6h5r:

The structure of Structure of the Complex of A Human Telomeric Dna with Bis(1-Butyl-3- Methyl-Imidazole-2-Ylidene) Gold(I) also contains other interesting chemical elements:

Gold (Au) 4 atoms
Strontium (Sr) 1 atom

Potassium Binding Sites:

The binding sites of Potassium atom in the Structure of the Complex of A Human Telomeric Dna with Bis(1-Butyl-3- Methyl-Imidazole-2-Ylidene) Gold(I) (pdb code 6h5r). 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 Bis(1-Butyl-3- Methyl-Imidazole-2-Ylidene) Gold(I), PDB code: 6h5r:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 6h5r

Go back to Potassium Binding Sites List in 6h5r
Potassium binding site 1 out of 2 in the Structure of the Complex of A Human Telomeric Dna with Bis(1-Butyl-3- Methyl-Imidazole-2-Ylidene) Gold(I)


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 Bis(1-Butyl-3- Methyl-Imidazole-2-Ylidene) Gold(I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K101

b:20.9
occ:1.00
O6 A:DG23 2.7 27.5 1.0
O6 A:DG11 2.7 27.6 1.0
O6 A:DG17 2.7 27.0 1.0
O6 A:DG5 2.7 28.7 1.0
O6 A:DG16 2.9 22.6 1.0
O6 A:DG4 2.9 22.2 1.0
O6 A:DG22 3.0 23.4 1.0
O6 A:DG10 3.0 25.0 1.0
K A:K102 3.5 19.9 1.0
C6 A:DG17 3.6 26.1 1.0
C6 A:DG11 3.6 27.3 1.0
C6 A:DG23 3.7 28.2 1.0
C6 A:DG5 3.7 29.4 1.0
C6 A:DG16 3.8 22.4 1.0
C6 A:DG4 3.8 23.2 1.0
C6 A:DG22 3.8 22.9 1.0
C6 A:DG10 3.8 24.0 1.0
N1 A:DG17 3.9 25.8 1.0
N1 A:DG11 4.0 26.2 1.0
N1 A:DG5 4.0 28.9 1.0
N1 A:DG23 4.0 27.2 1.0
N1 A:DG4 4.1 22.5 1.0
N1 A:DG22 4.1 22.3 1.0
N1 A:DG16 4.1 21.5 1.0
N1 A:DG10 4.1 23.4 1.0
C3 A:FTQ104 4.5 62.8 0.2
C2 A:FTQ105 4.8 54.9 0.2
C12 A:FTQ106 4.8 38.1 0.2
C12 A:FTQ107 4.8 41.7 0.2
C5 A:DG23 4.9 28.4 1.0
C5 A:DG11 4.9 27.8 1.0
C5 A:DG17 4.9 27.9 1.0
C5 A:DG16 5.0 23.1 1.0
C5 A:DG4 5.0 23.4 1.0
C5 A:DG5 5.0 30.3 1.0

Potassium binding site 2 out of 2 in 6h5r

Go back to Potassium Binding Sites List in 6h5r
Potassium binding site 2 out of 2 in the Structure of the Complex of A Human Telomeric Dna with Bis(1-Butyl-3- Methyl-Imidazole-2-Ylidene) Gold(I)


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 Bis(1-Butyl-3- Methyl-Imidazole-2-Ylidene) Gold(I) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K102

b:19.9
occ:1.00
O6 A:DG3 2.7 20.3 1.0
O6 A:DG15 2.8 19.1 1.0
O6 A:DG9 2.8 20.4 1.0
O6 A:DG21 2.8 21.1 1.0
O6 A:DG16 2.9 22.6 1.0
O6 A:DG4 2.9 22.2 1.0
O6 A:DG22 2.9 23.4 1.0
O6 A:DG10 3.0 25.0 1.0
K A:K101 3.5 20.9 1.0
C6 A:DG3 3.7 22.1 1.0
C6 A:DG15 3.7 20.7 1.0
C6 A:DG9 3.7 21.7 1.0
C6 A:DG21 3.7 22.6 1.0
SR A:SR103 3.7 31.4 0.5
C6 A:DG16 3.8 22.4 1.0
C6 A:DG4 3.8 23.2 1.0
C6 A:DG22 3.8 22.9 1.0
C6 A:DG10 3.9 24.0 1.0
N1 A:DG3 4.0 21.7 1.0
N1 A:DG21 4.0 22.2 1.0
N1 A:DG9 4.0 21.4 1.0
N1 A:DG15 4.0 20.7 1.0
N1 A:DG22 4.1 22.3 1.0
N1 A:DG16 4.1 21.5 1.0
N1 A:DG4 4.1 22.5 1.0
N1 A:DG10 4.1 23.4 1.0
C5 A:DG3 4.9 22.6 1.0
C5 A:DG15 4.9 21.4 1.0
C5 A:DG9 4.9 22.7 1.0
C5 A:DG21 4.9 23.6 1.0
C5 A:DG16 5.0 23.1 1.0

Reference:

F.Guarra, T.Marzo, M.Ferraroni, F.Papi, C.Bazzicalupi, P.Gratteri, G.Pescitelli, L.Messori, T.Biver, C.Gabbiani. Interaction of A Gold(I) Dicarbene Anticancer Drug with Human Telomeric Dna G-Quadruplex: Solution and Computationally Aided X-Ray Diffraction Analysis. Dalton Trans V. 47 16132 2018.
ISSN: ESSN 1477-9234
PubMed: 30378627
DOI: 10.1039/C8DT03607A
Page generated: Mon Dec 14 00:39:47 2020

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