Magnesium in PDB 4ah0: Crystal Structure of the Db 985-D(Cgcaaatttgcg)2 Complex at 1.20 A Resolution

The structure of Crystal Structure of the Db 985-D(Cgcaaatttgcg)2 Complex at 1.20 A Resolution, PDB code: 4ah0 was solved by D.G.Munnur, E.P.Mitchell, V.T.Forsyth, S.C.M.Teixeira, S.Neidle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.40 / 1.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	24.285, 40.287, 64.678, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 20.3

The binding sites of Magnesium atom in the Crystal Structure of the Db 985-D(Cgcaaatttgcg)2 Complex at 1.20 A Resolution (pdb code 4ah0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of the Db 985-D(Cgcaaatttgcg)2 Complex at 1.20 A Resolution, PDB code: 4ah0:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of the Db 985-D(Cgcaaatttgcg)2 Complex at 1.20 A Resolution


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 the Db 985-D(Cgcaaatttgcg)2 Complex at 1.20 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3001 b:11.3 occ:1.00 O A:HOH2045 2.0 13.7 1.0 O A:HOH2028 2.1 12.8 1.0 O A:HOH2004 2.1 11.8 1.0 O A:HOH2002 4.1 12.3 0.5 O A:HOH2013 4.2 21.0 1.0 O B:HOH2064 4.2 14.5 1.0 O6 B:DG22 4.3 11.2 1.0 C5 A:DC1 4.4 15.8 1.0 N7 A:DG2 4.4 10.4 1.0 O A:HOH2002 4.4 19.2 0.5 O A:HOH2009 4.4 18.2 1.0 O6 A:DG2 4.5 11.0 1.0 O A:HOH2046 4.5 16.5 1.0 C6 A:DC1 4.7 14.5 1.0 N4 A:DC3 4.9 12.8 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of the Db 985-D(Cgcaaatttgcg)2 Complex at 1.20 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Db 985-D(Cgcaaatttgcg)2 Complex at 1.20 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg3002 b:21.2 occ:0.50 O B:HOH2077 1.9 39.4 1.0 O B:HOH2081 2.0 37.8 1.0 O B:HOH2079 2.0 30.5 1.0 O B:HOH2080 2.1 29.2 1.0 O B:HOH2067 2.2 29.6 1.0 O B:HOH2078 2.4 38.5 1.0 O A:HOH2061 4.2 26.4 1.0 O B:HOH2010 4.3 37.8 1.0 O B:HOH2015 4.4 46.2 1.0 C4' B:DC23 4.5 19.1 1.0 O A:HOH2018 4.6 27.8 1.0 O B:HOH2013 4.7 45.4 1.0 O B:HOH2068 4.7 44.9 1.0 C5' B:DC23 4.7 21.7 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of the Db 985-D(Cgcaaatttgcg)2 Complex at 1.20 A Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of the Db 985-D(Cgcaaatttgcg)2 Complex at 1.20 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg3003 b:15.3 occ:0.25 O A:HOH2098 2.1 27.2 1.0 O B:HOH2017 2.1 18.3 0.5 O B:HOH2082 2.2 33.9 1.0 O B:HOH2083 2.6 24.1 0.5 O6 A:DG12 4.3 14.8 1.0 N4 B:DC13 4.4 14.4 1.0 O A:HOH2097 4.5 23.8 1.0 O A:HOH2094 5.0 34.5 1.0

D.G.Munnur, E.P.Mitchell, V.T.Forsyth, S.C.M.Teixeira, S.Neidle. A Detailed Study of Water Network in the Minor Groove of D(Cgcgaattcgcg)2 and D(Cgcaaatttgcg)2 in Presence of Linear Groove Binders To Be Published.