Magnesium in PDB 303d: Meta-Hydroxy Analogue of Hoechst 33258 ('Hydroxyl Out' Conformation) Bound to D(Cgcgaattcgcg)2

The structure of Meta-Hydroxy Analogue of Hoechst 33258 ('Hydroxyl Out' Conformation) Bound to D(Cgcgaattcgcg)2, PDB code: 303d was solved by G.R.Clark, C.J.Squire, E.J.Gray, W.Leupin, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	8.00 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.620, 40.350, 66.230, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / n/a

The binding sites of Magnesium atom in the Meta-Hydroxy Analogue of Hoechst 33258 ('Hydroxyl Out' Conformation) Bound to D(Cgcgaattcgcg)2 (pdb code 303d). 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 Meta-Hydroxy Analogue of Hoechst 33258 ('Hydroxyl Out' Conformation) Bound to D(Cgcgaattcgcg)2, PDB code: 303d:

Magnesium binding site 1 out of 1 in the Meta-Hydroxy Analogue of Hoechst 33258 ('Hydroxyl Out' Conformation) Bound to D(Cgcgaattcgcg)2


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Meta-Hydroxy Analogue of Hoechst 33258 ('Hydroxyl Out' Conformation) Bound to D(Cgcgaattcgcg)2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg26 b:20.5 occ:1.00 O A:HOH43 2.1 33.9 1.0 O A:HOH42 2.2 29.0 1.0 O A:HOH39 2.2 16.9 1.0 O A:HOH98 2.2 48.8 1.0 O A:HOH37 2.3 28.5 1.0 O A:HOH40 2.3 34.2 1.0 O A:HOH58 4.1 53.2 1.0 OP1 A:DA6 4.2 22.6 1.0 O A:HOH33 4.5 21.4 1.0 OP2 A:DT7 4.6 20.4 1.0 O5' A:DA6 4.8 22.4 1.0 P A:DA6 4.8 22.6 1.0 O A:HOH46 4.9 57.5 1.0 C3' A:DA6 4.9 17.0 1.0 C5' A:DA6 4.9 19.6 1.0 OP2 A:DA6 4.9 21.8 1.0

G.R.Clark, C.J.Squire, E.J.Gray, W.Leupin, S.Neidle. Designer Dna-Binding Drugs: the Crystal Structure of A Meta-Hydroxy Analogue of Hoechst 33258 Bound to D(Cgcgaattcgcg)2. Nucleic Acids Res. V. 24 4882 1996.
ISSN: ISSN 0305-1048
PubMed: 9017011
DOI: 10.1093/NAR/24.24.4882