Magnesium in PDB 4u8a: Crystal Structure of D(Cgcgaattcgcg)2 Complexed with Bph-1503

The structure of Crystal Structure of D(Cgcgaattcgcg)2 Complexed with Bph-1503, PDB code: 4u8a 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)	17.12 / 1.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	25.175, 40.144, 65.633, 90.00, 90.00, 90.00
R / Rfree (%)	26.6 / 32.2

The binding sites of Magnesium atom in the Crystal Structure of D(Cgcgaattcgcg)2 Complexed with Bph-1503 (pdb code 4u8a). 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-1503, PDB code: 4u8a:

Magnesium binding site 1 out of 1 in the Crystal Structure of D(Cgcgaattcgcg)2 Complexed with Bph-1503


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-1503 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg101 b:23.4 occ:1.00 O A:HOH202 2.0 21.1 1.0 O B:HOH202 2.1 23.3 1.0 O A:HOH203 2.1 23.6 1.0 O A:HOH221 4.2 28.5 1.0 O6 B:DG22 4.2 20.3 1.0 O B:HOH203 4.2 29.1 1.0 C5 A:DC1 4.3 19.7 1.0 N7 A:DG2 4.4 20.4 1.0 O B:HOH204 4.4 27.0 1.0 O6 A:DG2 4.4 19.8 1.0 C6 A:DC1 4.7 20.3 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