Chlorine in PDB 5mgl: Crystal Structure of BAZ2A Bromodomain in Complex with 4- Chloropyridine Derivative 3

The structure of Crystal Structure of BAZ2A Bromodomain in Complex with 4- Chloropyridine Derivative 3, PDB code: 5mgl was solved by G.Lolli, D.Spiliotopoulos, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.06 / 2.65
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.550, 95.550, 32.840, 90.00, 90.00, 120.00
R / Rfree (%)	21.3 / 25.3

The binding sites of Chlorine atom in the Crystal Structure of BAZ2A Bromodomain in Complex with 4- Chloropyridine Derivative 3 (pdb code 5mgl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of BAZ2A Bromodomain in Complex with 4- Chloropyridine Derivative 3, PDB code: 5mgl:

Chlorine binding site 1 out of 1 in the Crystal Structure of BAZ2A Bromodomain in Complex with 4- Chloropyridine Derivative 3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of BAZ2A Bromodomain in Complex with 4- Chloropyridine Derivative 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1901 b:65.4 occ:1.00 CL A:7MU1901 0.0 65.4 1.0 C09 A:7MU1901 1.7 25.0 1.0 C08 A:7MU1901 2.7 25.1 1.0 C10 A:7MU1901 2.8 25.1 1.0 OD1 A:ASN1873 3.6 23.6 1.0 CE2 A:PHE1872 3.7 21.7 1.0 C05 A:7MU1901 4.0 25.2 1.0 C07 A:7MU1901 4.0 25.3 1.0 CG1 A:VAL1827 4.1 31.1 1.0 CD2 A:PHE1872 4.3 21.9 1.0 N06 A:7MU1901 4.5 25.4 1.0 O A:HOH2038 4.5 32.6 1.0 CZ A:PHE1872 4.6 22.1 1.0 CG A:ASN1873 4.8 23.2 1.0

D.Spiliotopoulos, E.C.Wamhoff, G.Lolli, C.Rademacher, A.Caflisch. Discovery of BAZ2A Bromodomain Ligands. Eur J Med Chem V. 139 564 2017.
ISSN: ISSN 1768-3254
PubMed: 28837921
DOI: 10.1016/J.EJMECH.2017.08.028