Fluorine in PDB 7bde: Human BCL6 Btb-Domain in Complex with GSK137

The structure of Human BCL6 Btb-Domain in Complex with GSK137, PDB code: 7bde was solved by D.O.Somers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.04
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	49.251, 49.251, 124.409, 90, 90, 120
R / Rfree (%)	18 / 24.1

The binding sites of Fluorine atom in the Human BCL6 Btb-Domain in Complex with GSK137 (pdb code 7bde). 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 Human BCL6 Btb-Domain in Complex with GSK137, PDB code: 7bde:

Fluorine binding site 1 out of 1 in the Human BCL6 Btb-Domain in Complex with GSK137


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human BCL6 Btb-Domain in Complex with GSK137 within 5.0Å range: probe atom residue distance (Å) B Occ A:F201 b:38.8 occ:1.00 F A:TEQ201 0.0 38.8 1.0 C10 A:TEQ201 1.4 46.1 1.0 C11 A:TEQ201 2.5 43.2 1.0 C9 A:TEQ201 2.5 44.9 1.0 N1 A:TEQ201 3.2 38.3 1.0 CA A:ALA52 3.3 36.1 1.0 N A:ALA52 3.3 35.6 1.0 O A:MET51 3.3 34.6 1.0 C A:MET51 3.3 31.1 1.0 N3 A:TEQ201 3.5 46.7 1.0 N2 A:TEQ201 3.6 42.0 1.0 CB A:MET51 3.8 31.6 1.0 CB A:ALA52 4.0 36.9 1.0 CD1 A:TYR58 4.1 50.0 1.0 CA A:MET51 4.2 32.8 1.0 CE1 A:TYR58 4.4 51.4 1.0 C A:ALA52 4.4 33.8 1.0 C8 A:TEQ201 4.6 39.7 1.0 O A:THR48 4.7 37.1 1.0 O A:ALA52 4.8 34.4 1.0 C6 A:TEQ201 4.9 44.7 1.0

A.C.Pearce, M.J.Bamford, R.Barber, A.Bridges, M.A.Convery, C.Demetriou, S.Evans, T.Gobbetti, D.J.Hirst, D.S.Holmes, J.P.Hutchinson, S.Jayne, L.Lezina, M.T.Mccabe, C.Messenger, J.Morley, M.C.Musso, P.Scott-Stevens, A.S.Manso, J.Schofield, T.Slocombe, D.Somers, A.L.Walker, A.Wyce, X.P.Zhang, S.D.Wagner. GSK137, A Potent Small Molecule BCL6 Inhibitor with in Vivo Activity, Suppresses Antibody Responses in Mice. J.Biol.Chem. 00928 2021.
ISSN: ESSN 1083-351X
PubMed: 34274316
DOI: 10.1016/J.JBC.2021.100928