Fluorine in PDB 5r4e: Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with RZ201

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with RZ201:
3.6.1.3;

The structure of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with RZ201, PDB code: 5r4e was solved by M.Snee, R.Talon, D.Fowley, P.Collins, A.Nelson, C.H.Arrowsmith, C.Bountra, A.Edwards, F.Von-Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	69.26 / 1.83
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	79.970, 79.970, 137.250, 90.00, 90.00, 120.00
R / Rfree (%)	21.7 / 26.4

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with RZ201 (pdb code 5r4e). 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 Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with RZ201, PDB code: 5r4e:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with RZ201


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of ATAD2 in Complex with RZ201 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:19.6 occ:0.51 F18 A:RQP1201 0.0 19.6 0.5 C17 A:RQP1201 1.4 20.3 0.5 C19 A:RQP1201 2.4 20.5 0.5 C16 A:RQP1201 2.4 20.2 0.5 CD1 A:PHE992 3.4 14.9 0.5 CB A:PHE992 3.5 14.4 0.5 C01 A:RQP1201 3.5 33.0 0.5 C20 A:RQP1201 3.7 20.6 0.5 C15 A:RQP1201 3.7 21.0 0.5 CG A:PHE992 3.8 14.7 0.5 O A:HOH1307 3.9 37.6 0.5 CA A:PHE992 4.0 14.4 0.5 C14 A:RQP1201 4.2 21.7 0.5 CE1 A:PHE992 4.4 15.2 0.5 N A:PHE992 4.6 13.8 0.5 O02 A:RQP1201 4.6 32.4 0.5 CD2 A:PHE992 5.0 15.1 0.5

M.Snee, R.Talon, D.Fowley, P.Collins, A.Nelson, C.H.Arrowsmith, C.Bountra, A.Edwards, F.Von-Delft. Pandda Analysis Group Deposition - Bromodomain of Human ATAD2 Fragment Screening To Be Published.