Magnesium in PDB 4u8b: Crystal Structure of D(Cgcgaattcgcg)2 Complexed with Bph-1358

The structure of Crystal Structure of D(Cgcgaattcgcg)2 Complexed with Bph-1358, PDB code: 4u8b was solved by W.Zhu, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	16.87 / 1.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	23.765, 39.388, 65.362, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 24.6

The binding sites of Magnesium atom in the Crystal Structure of D(Cgcgaattcgcg)2 Complexed with Bph-1358 (pdb code 4u8b). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of D(Cgcgaattcgcg)2 Complexed with Bph-1358, PDB code: 4u8b:

Magnesium binding site 1 out of 1 in the Crystal Structure of D(Cgcgaattcgcg)2 Complexed with Bph-1358


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of D(Cgcgaattcgcg)2 Complexed with Bph-1358 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:13.7 occ:1.00 O B:HOH202 2.1 14.0 1.0 O A:HOH208 2.1 14.4 1.0 O A:HOH207 2.1 14.3 1.0 O A:HOH217 4.1 25.2 1.0 O6 B:DG22 4.1 12.5 1.0 O B:HOH206 4.2 18.1 1.0 C5 A:DC1 4.2 15.1 1.0 O B:HOH208 4.3 17.5 1.0 N7 A:DG2 4.4 13.7 1.0 O6 A:DG2 4.5 13.1 1.0 C6 A:DC1 4.7 16.4 1.0

W.Zhu, Y.Wang, K.Li, J.Gao, C.H.Huang, C.C.Chen, T.P.Ko, Y.Zhang, R.T.Guo, E.Oldfield. Antibacterial Drug Leads: Dna and Enzyme Multitargeting. J.Med.Chem. 2015.
ISSN: ISSN 0022-2623
PubMed: 25574764
DOI: 10.1021/JM501449U