Magnesium in PDB 6fgl: Crystal Structure of BAZ2A Bromodomain in Complex with Acetylindole Compound UZH47

The structure of Crystal Structure of BAZ2A Bromodomain in Complex with Acetylindole Compound UZH47, PDB code: 6fgl was solved by A.Dalle Vedove, A.Unzue, C.Nevado, G.Lolli, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.22 / 2.10
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.184, 95.184, 33.127, 90.00, 90.00, 120.00
R / Rfree (%)	19.1 / 22.4

The binding sites of Magnesium atom in the Crystal Structure of BAZ2A Bromodomain in Complex with Acetylindole Compound UZH47 (pdb code 6fgl). 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 BAZ2A Bromodomain in Complex with Acetylindole Compound UZH47, PDB code: 6fgl:

Magnesium binding site 1 out of 1 in the Crystal Structure of BAZ2A Bromodomain in Complex with Acetylindole Compound UZH47


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 BAZ2A Bromodomain in Complex with Acetylindole Compound UZH47 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1902 b:41.5 occ:1.00 O A:HOH2062 2.3 43.6 1.0 O A:HOH2008 2.4 40.5 1.0 O A:HOH2097 2.5 39.6 1.0 OE2 A:GLU1895 4.2 43.4 1.0 OE1 A:GLU1891 4.3 39.3 1.0 O A:HOH2010 4.4 35.2 1.0 O A:HOH2083 4.6 42.5 1.0 OE1 A:GLU1895 4.6 51.9 1.0 CD A:GLU1895 4.8 49.6 1.0

A.Dalle Vedove, D.Spiliotopoulos, V.G.D'agostino, J.R.Marchand, A.Unzue, C.Nevado, G.Lolli, A.Caflisch. Structural Analysis of Small-Molecule Binding to the BAZ2A and BAZ2B Bromodomains. Chemmedchem V. 13 1479 2018.
ISSN: ESSN 1860-7187
PubMed: 29770599
DOI: 10.1002/CMDC.201800234