Magnesium in PDB 4mn3: Chromodomain Antagonists That Target the Polycomb-Group Methyllysine Reader Protein Chromobox Homolog 7 (CBX7)

The structure of Chromodomain Antagonists That Target the Polycomb-Group Methyllysine Reader Protein Chromobox Homolog 7 (CBX7), PDB code: 4mn3 was solved by S.Chakravarthi, K.Daze, S.Douglas, T.Quon, A.Dev, F.Peng, M.Heller, M.J.Boulanger, J.Wulff, F.Hof, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.50 / 1.54
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.290, 31.860, 38.390, 90.00, 119.02, 90.00
R / Rfree (%)	17.2 / 21.3

The binding sites of Magnesium atom in the Chromodomain Antagonists That Target the Polycomb-Group Methyllysine Reader Protein Chromobox Homolog 7 (CBX7) (pdb code 4mn3). 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 Chromodomain Antagonists That Target the Polycomb-Group Methyllysine Reader Protein Chromobox Homolog 7 (CBX7), PDB code: 4mn3:

Magnesium binding site 1 out of 1 in the Chromodomain Antagonists That Target the Polycomb-Group Methyllysine Reader Protein Chromobox Homolog 7 (CBX7)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Chromodomain Antagonists That Target the Polycomb-Group Methyllysine Reader Protein Chromobox Homolog 7 (CBX7) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg104 b:8.2 occ:0.50 NE2 A:HIS41 2.0 12.8 1.0 OE1 A:GLU2 2.5 43.9 1.0 CE1 A:HIS41 2.9 14.4 1.0 CD2 A:HIS41 3.0 11.5 1.0 CD A:GLU2 3.7 39.2 1.0 ND1 A:HIS41 4.1 12.5 1.0 CG A:HIS41 4.1 12.1 1.0 CG A:GLU2 4.4 34.7 1.0 OE2 A:GLU2 4.6 45.6 1.0 CG A:PRO38 5.0 18.1 1.0

C.Simhadri, K.D.Daze, S.F.Douglas, T.T.Quon, A.Dev, M.C.Gignac, F.Peng, M.Heller, M.J.Boulanger, J.E.Wulff, F.Hof. Chromodomain Antagonists That Target the Polycomb-Group Methyllysine Reader Protein Chromobox Homolog 7 (CBX7). J.Med.Chem. V. 57 2874 2014.
ISSN: ISSN 0022-2623
PubMed: 24625057
DOI: 10.1021/JM401487X