Fluorine in PDB 6v0x: Crystal Structure of the Bromodomain of Human BRD9 Bound to Sunitinib

The structure of Crystal Structure of the Bromodomain of Human BRD9 Bound to Sunitinib, PDB code: 6v0x was solved by M.R.Karim, A.Chan, J.Y.Zhu, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.24 / 1.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	32.530, 112.062, 30.823, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 22.3

The binding sites of Fluorine atom in the Crystal Structure of the Bromodomain of Human BRD9 Bound to Sunitinib (pdb code 6v0x). 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 the Bromodomain of Human BRD9 Bound to Sunitinib, PDB code: 6v0x:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Bromodomain of Human BRD9 Bound to Sunitinib


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 the Bromodomain of Human BRD9 Bound to Sunitinib within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:23.9 occ:1.00 F29 A:B49301 0.0 23.9 1.0 C15 A:B49301 1.4 22.1 1.0 C7 A:B49301 2.4 19.5 1.0 C5 A:B49301 2.4 20.9 1.0 CE1 A:TYR173 3.3 23.9 1.0 OD1 A:ASN216 3.4 23.8 1.0 CB A:TYR215 3.5 20.5 1.0 CA A:ALA212 3.6 20.6 1.0 C17 A:B49301 3.6 18.8 1.0 C6 A:B49301 3.6 20.4 1.0 CD1 A:TYR173 3.7 22.0 1.0 O A:ASN211 3.8 21.2 1.0 CG A:TYR215 4.0 20.4 1.0 CD2 A:TYR215 4.0 20.9 1.0 C16 A:B49301 4.1 20.2 1.0 N A:ALA212 4.1 21.0 1.0 C A:ASN211 4.2 21.3 1.0 CB A:ALA212 4.3 22.0 1.0 CG A:ASN216 4.4 21.5 1.0 CZ A:TYR173 4.5 23.5 1.0 O A:HOH442 4.5 22.3 1.0 O A:ALA212 4.5 23.1 1.0 C A:ALA212 4.6 23.5 1.0 CA A:TYR215 4.7 19.4 1.0 OH A:TYR173 4.8 24.9 1.0 ND2 A:ASN216 4.9 19.0 1.0 CG1 A:ILE177 4.9 22.9 1.0 N A:TYR215 4.9 21.1 1.0

R.M.Karim, A.Chan, J.Y.Zhu, E.Schonbrunn. Structural Basis of Inhibitor Selectivity in the BRD7/9 Subfamily of Bromodomains. J.Med.Chem. 2020.
ISSN: ISSN 0022-2623
PubMed: 32091206
DOI: 10.1021/ACS.JMEDCHEM.9B01980