Manganese in PDB 8wq7: Crystal Structure of D(Cgtatacg)2 with A Four-Carbon Linker Containing Diacridine Compound

The structure of Crystal Structure of D(Cgtatacg)2 with A Four-Carbon Linker Containing Diacridine Compound, PDB code: 8wq7 was solved by S.C.Huang, 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)	24.38 / 1.58
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	34.462, 34.49, 69.033, 90, 90, 90
R / Rfree (%)	21.9 / 24.6

The binding sites of Manganese atom in the Crystal Structure of D(Cgtatacg)2 with A Four-Carbon Linker Containing Diacridine Compound (pdb code 8wq7). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of D(Cgtatacg)2 with A Four-Carbon Linker Containing Diacridine Compound, PDB code: 8wq7:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of D(Cgtatacg)2 with A Four-Carbon Linker Containing Diacridine Compound


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of D(Cgtatacg)2 with A Four-Carbon Linker Containing Diacridine Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn101 b:11.1 occ:0.65 O A:HOH213 2.1 23.1 1.0 OP2 A:DT5 2.1 20.8 1.0 P A:DT5 3.5 18.1 1.0 O A:HOH215 3.9 34.9 1.0 O A:HOH208 3.9 25.4 1.0 C3' A:DA4 4.1 15.8 1.0 O3' A:DA4 4.2 17.7 1.0 OP1 A:DT5 4.2 21.5 1.0 O5' A:DT5 4.6 17.3 1.0 C2' A:DA4 4.9 13.1 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of D(Cgtatacg)2 with A Four-Carbon Linker Containing Diacridine Compound


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of D(Cgtatacg)2 with A Four-Carbon Linker Containing Diacridine Compound within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn101 b:10.7 occ:0.60 OP2 B:DT5 2.1 19.7 1.0 O B:HOH220 2.1 22.4 1.0 O B:HOH217 2.2 23.7 1.0 P B:DT5 3.5 17.9 1.0 O B:HOH208 4.0 37.0 1.0 C3' B:DA4 4.1 15.7 1.0 OP1 B:DT5 4.2 20.7 1.0 O3' B:DA4 4.2 17.6 1.0 O5' B:DT5 4.6 17.6 1.0 C2' B:DA4 4.9 12.4 1.0

S.C.Huang, C.W.Chen, R.Satange, C.C.Hsieh, C.C.Chang, S.C.Wang, C.L.Peng, T.L.Chen, M.H.Chiang, Y.C.Horng, M.H.Hou. Targeting Dna Junction Sites By Bis-Intercalators Induces Topological Changes with Potent Antitumor Effects. Nucleic Acids Res. 2024.
ISSN: ESSN 1362-4962
PubMed: 39036959
DOI: 10.1093/NAR/GKAE643