Magnesium in PDB 6m5b: X-Ray Crystal Structure of Cyclic-Pip and Dna Complex in A Reverse Binding Orientation

The structure of X-Ray Crystal Structure of Cyclic-Pip and Dna Complex in A Reverse Binding Orientation, PDB code: 6m5b was solved by K.Abe, Y.Hirose, H.Eki, K.Takeda, T.Bando, M.Endo, H.Sugiyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.07 / 1.50
Space group	I 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	82.235, 82.235, 82.235, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 18.9

The structure of X-Ray Crystal Structure of Cyclic-Pip and Dna Complex in A Reverse Binding Orientation also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Sodium	(Na)	1 atom

The binding sites of Magnesium atom in the X-Ray Crystal Structure of Cyclic-Pip and Dna Complex in A Reverse Binding Orientation (pdb code 6m5b). 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 X-Ray Crystal Structure of Cyclic-Pip and Dna Complex in A Reverse Binding Orientation, PDB code: 6m5b:

Magnesium binding site 1 out of 1 in the X-Ray Crystal Structure of Cyclic-Pip and Dna Complex in A Reverse Binding Orientation


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Crystal Structure of Cyclic-Pip and Dna Complex in A Reverse Binding Orientation within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg102 b:20.4 occ:1.00 O A:HOH210 2.1 17.6 1.0 O A:HOH220 2.1 21.4 1.0 O A:HOH217 2.1 16.9 1.0 N7 A:DG9 4.2 18.1 1.0 O6 A:DG10 4.4 17.7 1.0 O6 A:DG9 4.5 18.2 1.0 O A:HOH222 4.5 19.1 1.0 C7 A:DT8 4.8 19.2 1.0 O A:HOH206 4.9 26.9 1.0

K.Abe, Y.Hirose, H.Eki, K.Takeda, T.Bando, M.Endo, H.Sugiyama. X-Ray Crystal Structure of A Cyclic-Pip-Dna Complex in the Reverse-Binding Orientation. J.Am.Chem.Soc. V. 142 10544 2020.
ISSN: ESSN 1520-5126
PubMed: 32401492
DOI: 10.1021/JACS.0C03972