Atomistry » Gold » PDB 3l47-5ix6 » 5ccw
Atomistry »
  Gold »
    PDB 3l47-5ix6 »
      5ccw »

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

Protein crystallography data

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

Other elements in 5ccw:

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

Potassium (K) 2 atoms

Gold Binding Sites:

The binding sites of Gold 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 Gold atom.
In total 3 binding sites of Gold where determined in the Structure of the Complex of A Human Telomeric Dna with Au(Caffein-2- Ylidene)2, PDB code: 5ccw:
Jump to Gold binding site number: 1; 2; 3;

Gold binding site 1 out of 3 in 5ccw

Go back to Gold Binding Sites List in 5ccw
Gold binding site 1 out of 3 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 Gold with other atoms in the Au 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:Au103

b:38.9
occ:0.50
AU A:51O103 0.0 38.9 0.5
C10 A:51O103 2.0 40.0 0.5
C1 A:51O103 2.0 30.5 0.5
N5 A:51O103 3.0 42.0 0.5
N2 A:51O103 3.0 29.8 0.5
N6 A:51O103 3.0 41.9 0.5
N1 A:51O103 3.1 30.4 0.5
C3 A:51O103 3.3 28.6 0.5
C11 A:51O103 3.4 42.1 0.5
C12 A:51O103 3.4 43.4 0.5
C6 A:DG11 3.5 32.6 1.0
C2 A:51O103 3.6 32.2 0.5
O6 A:DG11 3.6 33.1 1.0
C5 A:DG11 3.7 32.1 1.0
N1 A:DG11 3.7 31.8 1.0
C13 A:51O103 4.2 40.6 0.5
C14 A:51O103 4.2 40.5 0.5
C5 A:51O103 4.2 27.5 0.5
C4 A:51O103 4.2 27.2 0.5
C4 A:DG11 4.3 34.0 1.0
C2 A:DG11 4.3 32.7 1.0
N7 A:DG11 4.3 36.6 1.0
N3 A:DG11 4.6 33.3 1.0
O6 A:DG17 4.6 32.7 1.0
C8 A:DG11 4.9 34.1 1.0
N9 A:DG11 5.0 37.6 1.0

Gold binding site 2 out of 3 in 5ccw

Go back to Gold Binding Sites List in 5ccw
Gold binding site 2 out of 3 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 Gold with other atoms in the Au 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:Au104

b:37.2
occ:0.50
AU A:51O104 0.0 37.2 0.5
C10 A:51O104 2.0 33.5 0.5
C1 A:51O104 2.0 33.2 0.5
N6 A:51O104 2.9 36.2 0.5
N5 A:51O104 3.0 38.0 0.5
N2 A:51O104 3.0 30.3 0.5
N1 A:51O104 3.0 33.4 0.5
C12 A:51O104 3.3 35.7 0.5
C3 A:51O104 3.4 35.3 0.5
C11 A:51O104 3.4 36.0 0.5
N1 A:DG15 3.4 31.8 1.0
C2 A:51O104 3.4 35.0 0.5
C2 A:DG15 3.5 30.6 1.0
C6 A:DG15 3.5 33.3 1.0
C5 A:DG15 3.7 31.0 1.0
N3 A:DG15 3.7 30.7 1.0
C4 A:DG15 3.7 33.5 1.0
N2 A:DG15 4.1 28.1 1.0
O6 A:DG15 4.1 33.7 1.0
C13 A:51O104 4.2 36.9 0.5
C14 A:51O104 4.2 37.1 0.5
C5 A:51O104 4.2 31.4 0.5
C4 A:51O104 4.2 30.3 0.5
N7 A:DG15 4.5 36.7 1.0
N9 A:DG15 4.5 36.3 1.0
C8 A:DG15 4.9 33.3 1.0
O6 A:DG21 5.0 33.3 1.0

Gold binding site 3 out of 3 in 5ccw

Go back to Gold Binding Sites List in 5ccw
Gold binding site 3 out of 3 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 Gold with other atoms in the Au binding site number 3 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:Au105

b:36.0
occ:0.50
AU A:51O105 0.0 36.0 0.5
C1 A:51O105 2.0 34.5 0.5
C10 A:51O105 2.0 33.6 0.5
N1 A:51O105 3.0 34.2 0.5
N6 A:51O105 3.0 37.1 0.5
N5 A:51O105 3.0 35.5 0.5
N2 A:51O105 3.0 35.7 0.5
C2 A:51O105 3.4 35.8 0.5
C12 A:51O105 3.4 35.5 0.5
C11 A:51O105 3.4 36.2 0.5
C3 A:51O105 3.4 36.8 0.5
N2 A:DG3 3.5 29.5 1.0
O6 A:DG9 3.8 39.3 1.0
C2 A:DG3 3.8 31.5 1.0
N1 A:DG3 3.9 28.5 1.0
N7 A:DG9 4.1 35.8 1.0
C4 A:51O105 4.2 33.3 0.5
C5 A:51O105 4.2 33.6 0.5
C14 A:51O105 4.2 36.2 0.5
C13 A:51O105 4.2 35.6 0.5
C6 A:DG9 4.2 36.7 1.0
C5 A:DG9 4.3 34.7 1.0
N3 A:DG3 4.6 32.3 1.0
C6 A:DG3 4.8 32.6 1.0
C8 A:DG9 5.0 35.3 1.0

Reference:

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
Page generated: Sat Dec 12 01:54:13 2020

Last articles

Tb in 6TVY
Si in 6Y7O
Rh in 6WRM
Rh in 6WRL
Ni in 6Y8Z
Ni in 6Y8Y
Na in 6ZXZ
Na in 7ACG
Na in 6YLS
Na in 6Y8Z
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy