Chlorine in PDB 9jl7: Crystal Structure of Actinomycin D-Doxorubicin-D(Agccgt)2 Dna Ternary Complex

The structure of Crystal Structure of Actinomycin D-Doxorubicin-D(Agccgt)2 Dna Ternary Complex, PDB code: 9jl7 was solved by H.J.Li, R.B.Satange, M.H.Hou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.14 / 1.52
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	27.002, 27.002, 205.993, 90, 90, 120
R / Rfree (%)	20.3 / 21.3

The structure of Crystal Structure of Actinomycin D-Doxorubicin-D(Agccgt)2 Dna Ternary Complex also contains other interesting chemical elements:

Manganese

(Mn)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Actinomycin D-Doxorubicin-D(Agccgt)2 Dna Ternary Complex (pdb code 9jl7). 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 Crystal Structure of Actinomycin D-Doxorubicin-D(Agccgt)2 Dna Ternary Complex, PDB code: 9jl7:

Chlorine binding site 1 out of 1 in the Crystal Structure of Actinomycin D-Doxorubicin-D(Agccgt)2 Dna Ternary Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Actinomycin D-Doxorubicin-D(Agccgt)2 Dna Ternary Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:16.6 occ:0.50 O B:HOH222 2.2 23.9 1.0 O B:HOH221 2.2 28.9 1.0 OP1 B:DG5 2.5 21.3 1.0 O3' B:DG4 3.6 15.1 1.0 P B:DG5 3.6 18.2 1.0 O A:HOH209 4.1 22.2 1.0 C5' B:DG5 4.4 10.9 1.0 O5' B:DG5 4.5 17.1 1.0 C3' B:DG4 4.5 15.0 1.0 O B:HOH224 4.6 35.2 1.0 O A:HOH211 4.8 15.2 1.0 C4' B:DG4 4.8 15.5 1.0 OP2 B:DG5 4.8 20.3 1.0

C.C.Chang, H.J.Li, R.Satange, S.M.Lin, T.L.Chen, C.C.Lin, S.Neidle, M.H.Hou. Structural and Functional Insights Into Targeting Gccg Sites in the Egfr Promoter By Two Dna Intercalators to Inhibit Breast Cancer Metastasis. J.Med.Chem. 2025.
ISSN: ISSN 0022-2623
PubMed: 40032551
DOI: 10.1021/ACS.JMEDCHEM.4C03203