Chlorine in PDB 2wpu: Chaperoned Ruthenium Metallodrugs That Recognize Telomeric Dna

The structure of Chaperoned Ruthenium Metallodrugs That Recognize Telomeric Dna, PDB code: 2wpu was solved by T.Heinisch, T.Schirmer, J.M.Zimbron, A.Sardo, T.Wohlschlager, J.Gradinaru, M.Creus, T.R.Ward, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.92
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.680, 57.680, 183.694, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 19.8

The structure of Chaperoned Ruthenium Metallodrugs That Recognize Telomeric Dna also contains other interesting chemical elements:

Ruthenium

(Ru)

1 atom

The binding sites of Chlorine atom in the Chaperoned Ruthenium Metallodrugs That Recognize Telomeric Dna (pdb code 2wpu). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Chaperoned Ruthenium Metallodrugs That Recognize Telomeric Dna, PDB code: 2wpu:

Chlorine binding site 1 out of 1 in the Chaperoned Ruthenium Metallodrugs That Recognize Telomeric Dna


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Chaperoned Ruthenium Metallodrugs That Recognize Telomeric Dna within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl400 b:47.0 occ:1.00 CL1 A:KYT400 0.0 47.0 1.0 O A:HOH2098 2.8 39.3 1.0 RU1 A:KYT400 2.8 42.0 1.0 N2 A:KYT400 2.9 35.1 1.0 C6 A:KYT400 3.4 45.3 1.0 OG A:SER112 3.6 24.9 1.0 C3 A:KYT400 3.6 44.0 1.0 C4 A:KYT400 3.7 45.4 1.0 C1 A:KYT400 3.7 29.9 1.0 C7 A:KYT400 3.8 43.8 1.0 C13 A:KYT400 3.9 30.2 1.0 N1 A:KYT400 4.0 33.9 1.0 O A:HOH2095 4.1 44.0 1.0 C11 A:KYT400 4.1 44.3 1.0 CD1 A:LEU124 4.3 20.8 1.0 CB A:SER112 4.3 22.6 1.0 C8 A:KYT400 4.5 43.8 1.0 CG A:LEU124 4.7 20.6 1.0 C12 A:KYT400 4.8 44.2 1.0 O A:LYS121 4.8 23.4 1.0 C14 A:KYT400 4.9 28.2 1.0 C9 A:KYT400 4.9 44.1 1.0 O A:SER122 4.9 18.6 1.0

J.M.Zimbron, A.Sardo, T.Heinisch, T.Wohlschlager, J.Gradinaru, C.Massa, T.Schirmer, M.Creus, T.R.Ward. Chemo-Genetic Optimization of Dna Recognition By Metallodrugs Using A Presenter-Protein Strategy. Chemistry V. 16 12883 2010.
ISSN: ISSN 0947-6539
PubMed: 20878805
DOI: 10.1002/CHEM.201001573