Fluorine in PDB 6fgf: Crystal Structure of BAZ2A Bromodomain in Complex with 1- Methylpyridinone Compound 2

The structure of Crystal Structure of BAZ2A Bromodomain in Complex with 1- Methylpyridinone Compound 2, PDB code: 6fgf was solved by A.Dalle Vedove, D.Spiliotopoulos, G.Lolli, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.28 / 2.80
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.339, 95.339, 32.546, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 25.6

The binding sites of Fluorine atom in the Crystal Structure of BAZ2A Bromodomain in Complex with 1- Methylpyridinone Compound 2 (pdb code 6fgf). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of BAZ2A Bromodomain in Complex with 1- Methylpyridinone Compound 2, PDB code: 6fgf:

Fluorine binding site 1 out of 1 in the Crystal Structure of BAZ2A Bromodomain in Complex with 1- Methylpyridinone Compound 2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of BAZ2A Bromodomain in Complex with 1- Methylpyridinone Compound 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1901 b:74.5 occ:1.00 F22 A:EN21901 0.0 74.5 1.0 C21 A:EN21901 1.4 68.9 1.0 C20 A:EN21901 2.4 58.9 1.0 C23 A:EN21901 2.4 62.5 1.0 C19 A:EN21901 3.6 52.5 1.0 C24 A:EN21901 3.7 57.9 1.0 C18 A:EN21901 4.2 55.7 1.0 O A:LEU1826 4.3 41.3 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